lithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate

C72H82LiN13O11 — CID 158694074

IUPAClithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(N2CCCCC2)cn1.Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(N2CCNCC2)cn1.O=C([O-])c1ccc(N2CCCCC2)cn1.[Li+]
InChIInChI=1S/C26H30N4O4.C20H21N5O2.C15H18N2O3.C11H14N2O2.Li/c1-26(2,3)34-25(32)29-20-11-9-18(23-8-7-15-33-23)16-22(20)28-24(31)21-12-10-19(17-27-21)30-13-5-4-6-14-30;21-16-5-3-14(19-2-1-11-27-19)12-18(16)24-20(26)17-6-4-15(13-23-17)25-9-7-22-8-10-25;1-15(2,3)20-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-19-13;14-11(15)10-5-4-9(8-12-10)13-6-2-1-3-7-13;/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,28,31)(H,29,32);1-6,11-13,22H,7-10,21H2,(H,24,26);4-9H,16H2,1-3H3,(H,17,18);4-5,8H,1-3,6-7H2,(H,14,15);/q;;;;+1/p-1
InChIKeyIGSFSJUUNGFGIM-UHFFFAOYSA-M
MW1312.47 g/mol
LogP9.83
Rot. Bonds13

About lithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate

lithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate (PubChem CID 158694074) has the molecular formula C72H82LiN13O11 and a molecular weight of 1312.47 g/mol. Its IUPAC name is lithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namelithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate
PubChem CID158694074
Molecular FormulaC72H82LiN13O11
Molecular Weight1312.47 g/mol
Exact Mass1311.64
IUPAC Namelithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(N2CCCCC2)cn1.Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(N2CCNCC2)cn1.O=C([O-])c1ccc(N2CCCCC2)cn1.[Li+]
InChIInChI=1S/C26H30N4O4.C20H21N5O2.C15H18N2O3.C11H14N2O2.Li/c1-26(2,3)34-25(32)29-20-11-9-18(23-8-7-15-33-23)16-22(20)28-24(31)21-12-10-19(17-27-21)30-13-5-4-6-14-30;21-16-5-3-14(19-2-1-11-27-19)12-18(16)24-20(26)17-6-4-15(13-23-17)25-9-7-22-8-10-25;1-15(2,3)20-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-19-13;14-11(15)10-5-4-9(8-12-10)13-6-2-1-3-7-13;/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,28,31)(H,29,32);1-6,11-13,22H,7-10,21H2,(H,24,26);4-9H,16H2,1-3H3,(H,17,18);4-5,8H,1-3,6-7H2,(H,14,15);/q;;;;+1/p-1
InChIKeyIGSFSJUUNGFGIM-UHFFFAOYSA-M
XLogP9.83
TPSA326.87 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001312.47
LogP ≤ 59.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze lithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate with MolForge

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Related Compounds

N-[2-amino-5-(furan-2-yl)phenyl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 134535408
carbon dioxide;4-(5-methylfuran-2-yl)pyridine;2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)aniline;5-pyridin-4-yl-N-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 158391516
Tert-butyl 4-[6-[[5-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 134518959
Tert-butyl 4-[6-[[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 134519001
tert-butyl N-[4-(furan-2-yl)-2-[[7-(4-methylpiperazin-1-yl)isoquinoline-3-carbonyl]amino]phenyl]carbamate
CID 134535375
N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 134535529
tert-butyl N-[4-(furan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]amino]phenyl]carbamate
CID 134535597
tert-butyl N-[4-(furan-3-yl)-2-[[5-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]amino]phenyl]carbamate
CID 134535605
tert-butyl N-[4-(furan-2-yl)-5-methyl-2-[[7-(4-methylpiperazin-1-yl)isoquinoline-3-carbonyl]amino]phenyl]carbamate
CID 146232022
tert-butyl N-[4-(furan-2-yl)-2-methyl-6-[[7-(4-methylpiperazin-1-yl)isoquinoline-3-carbonyl]amino]phenyl]carbamate
CID 155358392
lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
CID 157183578
lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate
CID 157458090

Frequently Asked Questions

What is the IUPAC name of lithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate?
The IUPAC name of lithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate (CID 158694074) is lithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate.
What is the SMILES notation for lithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate?
The canonical SMILES for lithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate is CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(N2CCCCC2)cn1.Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(N2CCNCC2)cn1.O=C([O-])c1ccc(N2CCCCC2)cn1.[Li+].
What is the InChIKey of lithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate?
The InChIKey is IGSFSJUUNGFGIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H30N4O4.C20H21N5O2.C15H18N2O3.C11H14N2O2.Li/c1-26(2,3)34-25(32)29-20-11-9-18(23-8-7-15-33-23)16-22(20)28-24(31)21-12-10-19(17-27-21)30-13-5-4-6-14-30;21-16-5-3-14(19-2-1-11-27-19)12-18(16)24-20(26)17-6-4-15(13-23-17)25-9-7-22-8-10-25;1-15(2,3)20-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-19-13;14-11(15)10-5-4-9(8-12-10)13-6-2-1-3-7-13;/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,28,31)(H,29,32);1-6,11-13,22H,7-10,21H2,(H,24,26);4-9H,16H2,1-3H3,(H,17,18);4-5,8H,1-3,6-7H2,(H,14,15);/q;;;;+1/p-1.
What are the key properties of lithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate?
lithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate has a molecular weight of 1312.47 g/mol, XLogP of 9.83, 13 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate is sourced from PubChem (CID 158694074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).