8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline

C94H118ClFN14O8 — CID 159134333

IUPAC8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline
SMILESC.CC(=O)c1ccc(Cl)nc1.CC(C)(C)OC(=O)N1CCC2(CCNCC2)C1.COC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1.Cc1ccc(-c2ccccc2)cc1N.Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCC3(CCN(C(=O)NCCc4ccccc4)C3)CC2)nc1.O=C=NCCc1ccccc1.[2H]CF
InChIInChI=1S/C35H38N6O2.C15H21N3O2.C13H24N2O2.C13H13N.C9H9NO.C7H6ClNO.CH3F.CH4/c36-30-13-11-28(27-9-5-2-6-10-27)23-31(30)39-33(42)29-12-14-32(38-24-29)40-20-16-35(17-21-40)18-22-41(25-35)34(43)37-19-15-26-7-3-1-4-8-26;1-20-14(19)12-2-3-13(17-10-12)18-8-5-15(6-9-18)4-7-16-11-15;1-12(2,3)17-11(16)15-9-6-13(10-15)4-7-14-8-5-13;1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11;11-8-10-7-6-9-4-2-1-3-5-9;1-5(10)6-2-3-7(8)9-4-6;1-2;/h1-14,23-24H,15-22,25,36H2,(H,37,43)(H,39,42);2-3,10,16H,4-9,11H2,1H3;14H,4-10H2,1-3H3;2-9H,14H2,1H3;1-5H,6-7H2;2-4H,1H3;1H3;1H4/i;;;;;;1D;
InChIKeyKHHFIFYTVYTNKQ-IDEIXCOCSA-N
MW1627.53 g/mol
LogP17.24
Rot. Bonds14

About 8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline

8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline (PubChem CID 159134333) has the molecular formula C94H118ClFN14O8 and a molecular weight of 1627.53 g/mol. Its IUPAC name is 8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline.

Molecular Properties

Compound Name8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline
PubChem CID159134333
Molecular FormulaC94H118ClFN14O8
Molecular Weight1627.53 g/mol
Exact Mass1625.90
IUPAC Name8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline
SMILESC.CC(=O)c1ccc(Cl)nc1.CC(C)(C)OC(=O)N1CCC2(CCNCC2)C1.COC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1.Cc1ccc(-c2ccccc2)cc1N.Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCC3(CCN(C(=O)NCCc4ccccc4)C3)CC2)nc1.O=C=NCCc1ccccc1.[2H]CF
InChIInChI=1S/C35H38N6O2.C15H21N3O2.C13H24N2O2.C13H13N.C9H9NO.C7H6ClNO.CH3F.CH4/c36-30-13-11-28(27-9-5-2-6-10-27)23-31(30)39-33(42)29-12-14-32(38-24-29)40-20-16-35(17-21-40)18-22-41(25-35)34(43)37-19-15-26-7-3-1-4-8-26;1-20-14(19)12-2-3-13(17-10-12)18-8-5-15(6-9-18)4-7-16-11-15;1-12(2,3)17-11(16)15-9-6-13(10-15)4-7-14-8-5-13;1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11;11-8-10-7-6-9-4-2-1-3-5-9;1-5(10)6-2-3-7(8)9-4-6;1-2;/h1-14,23-24H,15-22,25,36H2,(H,37,43)(H,39,42);2-3,10,16H,4-9,11H2,1H3;14H,4-10H2,1-3H3;2-9H,14H2,1H3;1-5H,6-7H2;2-4H,1H3;1H3;1H4/i;;;;;;1D;
InChIKeyKHHFIFYTVYTNKQ-IDEIXCOCSA-N
XLogP17.24
TPSA285.03 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001627.53
LogP ≤ 517.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze 8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline with MolForge

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Related Compounds

Benzene-1,2-diamine;tert-butyl 7-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-(5-methoxycarbonyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;methyl 6-chloropyridine-3-carboxylate
CID 157260774
Benzene-1,2-diamine;tert-butyl 7-[5-[2-(2-aminophenyl)acetyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-(5-methoxycarbonyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;methyl 4-chlorobenzoate
CID 157422477
Benzene-1,2-diamine;tert-butyl 7-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-(5-methoxycarbonyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;methyl 4-chlorobenzoate
CID 157635063
tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[2-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-2-oxoethyl]phenyl]carbamate;tert-butyl N-[2-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]phenyl]carbamate;6-chloropyridine-3-carboxylic acid;methane;propyl N-[(3S)-1-[5-[2-(2-aminophenyl)acetyl]-2-pyridinyl]pyrrolidin-3-yl]carbamate;(3S)-pyrrolidin-3-amine
CID 157945126
N-[2-amino-5-(4-fluorophenyl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 157990451
CID 158227283
CID 158227283
benzene-1,2-diamine;benzyl (1S,4S)-5-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;benzyl carbonochloridate;benzyl (1S,4S)-5-(5-methoxycarbonyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1S,4S)-5-(5-methoxycarbonyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;methyl 6-chloropyridine-3-carboxylate;methyl 6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxylate;6-[(1S,4S)-5-phenylmethoxycarbonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxylic acid
CID 159683675
2-(2-amino-5-phenylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;tert-butyl N-[2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 6-chloropyridine-3-carboxylate;methyl 6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate;6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 161043554
2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-[2-[2-oxo-2-(6-piperidin-1-yl-3-pyridinyl)ethyl]-4-phenylphenyl]carbamate;methyl 6-chloropyridine-3-carboxylate;methyl 6-piperidin-1-ylpyridine-3-carboxylate;6-piperidin-1-ylpyridine-3-carboxylic acid
CID 161137820
2-Benzyl-2,7-diazaspiro[4.4]nonane;methyl 6-chloropyridine-3-carboxylate;methyl 6-(2,7-diazaspiro[4.4]nonan-2-yl)pyridine-3-carboxylate;pyridin-3-ylmethyl 7-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;pyridin-3-ylmethyl imidazole-1-carboxylate
CID 161457388
tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[6-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonyl]amino]phenyl]carbamate;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]phenyl]carbamate;6-chloropyridine-3-carboxylic acid;2-methoxyethyl N-[(3S)-1-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]pyrrolidin-3-yl]carbamate;(3S)-pyrrolidin-3-amine
CID 162166536
Tert-butyl 9-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(5-methoxycarbonyl-2-pyridinyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;methyl 6-chloropyridine-3-carboxylate
CID 162178110

Frequently Asked Questions

What is the IUPAC name of 8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline?
The IUPAC name of 8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline (CID 159134333) is 8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline.
What is the SMILES notation for 8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline?
The canonical SMILES for 8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline is C.CC(=O)c1ccc(Cl)nc1.CC(C)(C)OC(=O)N1CCC2(CCNCC2)C1.COC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1.Cc1ccc(-c2ccccc2)cc1N.Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCC3(CCN(C(=O)NCCc4ccccc4)C3)CC2)nc1.O=C=NCCc1ccccc1.[2H]CF.
What is the InChIKey of 8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline?
The InChIKey is KHHFIFYTVYTNKQ-IDEIXCOCSA-N. The full InChI is InChI=1S/C35H38N6O2.C15H21N3O2.C13H24N2O2.C13H13N.C9H9NO.C7H6ClNO.CH3F.CH4/c36-30-13-11-28(27-9-5-2-6-10-27)23-31(30)39-33(42)29-12-14-32(38-24-29)40-20-16-35(17-21-40)18-22-41(25-35)34(43)37-19-15-26-7-3-1-4-8-26;1-20-14(19)12-2-3-13(17-10-12)18-8-5-15(6-9-18)4-7-16-11-15;1-12(2,3)17-11(16)15-9-6-13(10-15)4-7-14-8-5-13;1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11;11-8-10-7-6-9-4-2-1-3-5-9;1-5(10)6-2-3-7(8)9-4-6;1-2;/h1-14,23-24H,15-22,25,36H2,(H,37,43)(H,39,42);2-3,10,16H,4-9,11H2,1H3;14H,4-10H2,1-3H3;2-9H,14H2,1H3;1-5H,6-7H2;2-4H,1H3;1H3;1H4/i;;;;;;1D;.
What are the key properties of 8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline?
8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline has a molecular weight of 1627.53 g/mol, XLogP of 17.24, 14 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;1-(6-chloro-3-pyridinyl)ethanone;deuterio(fluoro)methane;2-isocyanatoethylbenzene;methane;methyl 6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxylate;2-methyl-5-phenylaniline is sourced from PubChem (CID 159134333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).