lithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide

C154H205BrCl2LiN18O17P — CID 160855713

IUPAClithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide
SMILESC/C1=C/CCCCCC1.CC(=O)CCCCCCC=O.CCC(=O)P(C=O)(c1ccccc1)(c1ccccc1)c1ccccc1.CCOC(=O)/C=C(/CCCCCCc1ccc2cccnc2n1)c1ccc(N)nc1.CCOC(=O)/C=C/CCCCCCC(C)=O.CCOC(=O)/C=C/CCCCCCc1ccc2cccnc2n1.CCOC(=O)CC(CCCCCCc1ccc2c(n1)NCCC2)c1ccc(N)nc1.ClCCl.Nc1ccc(Br)cn1.Nc1ccc(C(CCCCCCc2ccc3c(n2)NCCC3)CC(=O)O)cn1.Nc1ncccc1C=O.[Li+].[OH-]
InChIInChI=1S/C24H34N4O2.C24H28N4O2.C22H30N4O2.C22H21O2P.C19H24N2O2.C13H22O3.C9H16O2.C9H16.C6H6N2O.C5H5BrN2.CH2Cl2.Li.H2O/c2*1-2-30-23(29)16-19(20-12-14-22(25)27-17-20)8-5-3-4-6-10-21-13-11-18-9-7-15-26-24(18)28-21;23-20-12-10-18(15-25-20)17(14-21(27)28)6-3-1-2-4-8-19-11-9-16-7-5-13-24-22(16)26-19;1-2-22(24)25(18-23,19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-2-23-18(22)12-8-6-4-3-5-7-11-17-14-13-16-10-9-15-20-19(16)21-17;1-3-16-13(15)11-9-7-5-4-6-8-10-12(2)14;1-9(11)7-5-3-2-4-6-8-10;1-9-7-5-3-2-4-6-8-9;7-6-5(4-9)2-1-3-8-6;6-4-1-2-5(7)8-3-4;2-1-3;;/h11-14,17,19H,2-10,15-16H2,1H3,(H2,25,27)(H,26,28);7,9,11-17H,2-6,8,10H2,1H3,(H2,25,27);9-12,15,17H,1-8,13-14H2,(H2,23,25)(H,24,26)(H,27,28);3-18H,2H2,1H3;8-10,12-15H,2-7,11H2,1H3;9,11H,3-8,10H2,1-2H3;8H,2-7H2,1H3;7H,2-6,8H2,1H3;1-4H,(H2,7,8);1-3H,(H2,7,8);1H2;;1H2/q;;;;;;;;;;;+1;/p-1/b;19-16-;;;12-8+;11-9+;;9-7-;;;;;
InChIKeySJUZXEHMYCHYFB-BXVVYHRYSA-M
MW2769.17 g/mol
LogP30.04
Rot. Bonds63

About lithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide

lithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide (PubChem CID 160855713) has the molecular formula C154H205BrCl2LiN18O17P and a molecular weight of 2769.17 g/mol. Its IUPAC name is lithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide.

Molecular Properties

Compound Namelithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide
PubChem CID160855713
Molecular FormulaC154H205BrCl2LiN18O17P
Molecular Weight2769.17 g/mol
Exact Mass2765.42
IUPAC Namelithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide
SMILESC/C1=C/CCCCCC1.CC(=O)CCCCCCC=O.CCC(=O)P(C=O)(c1ccccc1)(c1ccccc1)c1ccccc1.CCOC(=O)/C=C(/CCCCCCc1ccc2cccnc2n1)c1ccc(N)nc1.CCOC(=O)/C=C/CCCCCCC(C)=O.CCOC(=O)/C=C/CCCCCCc1ccc2cccnc2n1.CCOC(=O)CC(CCCCCCc1ccc2c(n1)NCCC2)c1ccc(N)nc1.ClCCl.Nc1ccc(Br)cn1.Nc1ccc(C(CCCCCCc2ccc3c(n2)NCCC3)CC(=O)O)cn1.Nc1ncccc1C=O.[Li+].[OH-]
InChIInChI=1S/C24H34N4O2.C24H28N4O2.C22H30N4O2.C22H21O2P.C19H24N2O2.C13H22O3.C9H16O2.C9H16.C6H6N2O.C5H5BrN2.CH2Cl2.Li.H2O/c2*1-2-30-23(29)16-19(20-12-14-22(25)27-17-20)8-5-3-4-6-10-21-13-11-18-9-7-15-26-24(18)28-21;23-20-12-10-18(15-25-20)17(14-21(27)28)6-3-1-2-4-8-19-11-9-16-7-5-13-24-22(16)26-19;1-2-22(24)25(18-23,19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-2-23-18(22)12-8-6-4-3-5-7-11-17-14-13-16-10-9-15-20-19(16)21-17;1-3-16-13(15)11-9-7-5-4-6-8-10-12(2)14;1-9(11)7-5-3-2-4-6-8-10;1-9-7-5-3-2-4-6-8-9;7-6-5(4-9)2-1-3-8-6;6-4-1-2-5(7)8-3-4;2-1-3;;/h11-14,17,19H,2-10,15-16H2,1H3,(H2,25,27)(H,26,28);7,9,11-17H,2-6,8,10H2,1H3,(H2,25,27);9-12,15,17H,1-8,13-14H2,(H2,23,25)(H,24,26)(H,27,28);3-18H,2H2,1H3;8-10,12-15H,2-7,11H2,1H3;9,11H,3-8,10H2,1-2H3;8H,2-7H2,1H3;7H,2-6,8H2,1H3;1-4H,(H2,7,8);1-3H,(H2,7,8);1H2;;1H2/q;;;;;;;;;;;+1;/p-1/b;19-16-;;;12-8+;11-9+;;9-7-;;;;;
InChIKeySJUZXEHMYCHYFB-BXVVYHRYSA-M
XLogP30.04
TPSA570.87 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds63
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002769.17
LogP ≤ 530.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze lithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide?
The IUPAC name of lithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide (CID 160855713) is lithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide.
What is the SMILES notation for lithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide?
The canonical SMILES for lithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide is C/C1=C/CCCCCC1.CC(=O)CCCCCCC=O.CCC(=O)P(C=O)(c1ccccc1)(c1ccccc1)c1ccccc1.CCOC(=O)/C=C(/CCCCCCc1ccc2cccnc2n1)c1ccc(N)nc1.CCOC(=O)/C=C/CCCCCCC(C)=O.CCOC(=O)/C=C/CCCCCCc1ccc2cccnc2n1.CCOC(=O)CC(CCCCCCc1ccc2c(n1)NCCC2)c1ccc(N)nc1.ClCCl.Nc1ccc(Br)cn1.Nc1ccc(C(CCCCCCc2ccc3c(n2)NCCC3)CC(=O)O)cn1.Nc1ncccc1C=O.[Li+].[OH-].
What is the InChIKey of lithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide?
The InChIKey is SJUZXEHMYCHYFB-BXVVYHRYSA-M. The full InChI is InChI=1S/C24H34N4O2.C24H28N4O2.C22H30N4O2.C22H21O2P.C19H24N2O2.C13H22O3.C9H16O2.C9H16.C6H6N2O.C5H5BrN2.CH2Cl2.Li.H2O/c2*1-2-30-23(29)16-19(20-12-14-22(25)27-17-20)8-5-3-4-6-10-21-13-11-18-9-7-15-26-24(18)28-21;23-20-12-10-18(15-25-20)17(14-21(27)28)6-3-1-2-4-8-19-11-9-16-7-5-13-24-22(16)26-19;1-2-22(24)25(18-23,19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-2-23-18(22)12-8-6-4-3-5-7-11-17-14-13-16-10-9-15-20-19(16)21-17;1-3-16-13(15)11-9-7-5-4-6-8-10-12(2)14;1-9(11)7-5-3-2-4-6-8-10;1-9-7-5-3-2-4-6-8-9;7-6-5(4-9)2-1-3-8-6;6-4-1-2-5(7)8-3-4;2-1-3;;/h11-14,17,19H,2-10,15-16H2,1H3,(H2,25,27)(H,26,28);7,9,11-17H,2-6,8,10H2,1H3,(H2,25,27);9-12,15,17H,1-8,13-14H2,(H2,23,25)(H,24,26)(H,27,28);3-18H,2H2,1H3;8-10,12-15H,2-7,11H2,1H3;9,11H,3-8,10H2,1-2H3;8H,2-7H2,1H3;7H,2-6,8H2,1H3;1-4H,(H2,7,8);1-3H,(H2,7,8);1H2;;1H2/q;;;;;;;;;;;+1;/p-1/b;19-16-;;;12-8+;11-9+;;9-7-;;;;;.
What are the key properties of lithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide?
lithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide has a molecular weight of 2769.17 g/mol, XLogP of 30.04, 63 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-aminopyridine-3-carbaldehyde;3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;5-bromopyridin-2-amine;dichloromethane;ethyl (Z)-3-(6-amino-3-pyridinyl)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl 3-(6-amino-3-pyridinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl (E)-9-(1,8-naphthyridin-2-yl)non-2-enoate;ethyl (E)-10-oxoundec-2-enoate;(1Z)-1-methylcyclooctene;8-oxononanal;[triphenyl(propanoyl)-λ5-phosphanyl]formaldehyde;hydroxide is sourced from PubChem (CID 160855713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).