N-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide

C94H92N22O10 — CID 158277113

IUPACN-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCC(=O)NCCNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.CNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(Cc4ccccc4)cc3)c2)n1.CNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)n1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C26H30N6O3.C24H21N5O3.C24H21N5O2.C20H20N6O2/c1-18(33)27-12-13-28-24-7-5-6-22(30-24)20-16-23(26(35)29-17-20)31-25(34)19-8-10-21(11-9-19)32-14-3-2-4-15-32;1-25-24-26-12-11-20(29-24)18-13-21(23(31)27-14-18)28-22(30)17-7-9-19(10-8-17)32-15-16-5-3-2-4-6-16;1-25-24-26-12-11-20(29-24)19-14-21(23(31)27-15-19)28-22(30)18-9-7-17(8-10-18)13-16-5-3-2-4-6-16;27-19(15-1-2-18(23-12-15)26-9-7-22-8-10-26)25-17-11-16(13-24-20(17)28)14-3-5-21-6-4-14/h5-11,16-17H,2-4,12-15H2,1H3,(H,27,33)(H,28,30)(H,29,35)(H,31,34);2-14H,15H2,1H3,(H,27,31)(H,28,30)(H,25,26,29);2-12,14-15H,13H2,1H3,(H,27,31)(H,28,30)(H,25,26,29);1-6,11-13,22H,7-10H2,(H,24,28)(H,25,27)
InChIKeyGJSXXQMRATYJMO-UHFFFAOYSA-N
MW1689.91 g/mol
LogP12.14
Rot. Bonds25

About N-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide

N-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 158277113) has the molecular formula C94H92N22O10 and a molecular weight of 1689.91 g/mol. Its IUPAC name is N-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide
PubChem CID158277113
Molecular FormulaC94H92N22O10
Molecular Weight1689.91 g/mol
Exact Mass1688.74
IUPAC NameN-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCC(=O)NCCNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.CNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(Cc4ccccc4)cc3)c2)n1.CNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)n1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C26H30N6O3.C24H21N5O3.C24H21N5O2.C20H20N6O2/c1-18(33)27-12-13-28-24-7-5-6-22(30-24)20-16-23(26(35)29-17-20)31-25(34)19-8-10-21(11-9-19)32-14-3-2-4-15-32;1-25-24-26-12-11-20(29-24)18-13-21(23(31)27-14-18)28-22(30)17-7-9-19(10-8-17)32-15-16-5-3-2-4-6-16;1-25-24-26-12-11-20(29-24)19-14-21(23(31)27-15-19)28-22(30)18-9-7-17(8-10-18)13-16-5-3-2-4-6-16;27-19(15-1-2-18(23-12-15)26-9-7-22-8-10-26)25-17-11-16(13-24-20(17)28)14-3-5-21-6-4-14/h5-11,16-17H,2-4,12-15H2,1H3,(H,27,33)(H,28,30)(H,29,35)(H,31,34);2-14H,15H2,1H3,(H,27,31)(H,28,30)(H,25,26,29);2-12,14-15H,13H2,1H3,(H,27,31)(H,28,30)(H,25,26,29);1-6,11-13,22H,7-10H2,(H,24,28)(H,25,27)
InChIKeyGJSXXQMRATYJMO-UHFFFAOYSA-N
XLogP12.14
TPSA431.00 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds25
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001689.91
LogP ≤ 512.14
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze N-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-bis[(4-methoxyphenyl)methyl]pentanediamide
CID 44368341
US9656988, Example 114
CID 118114495
US9656988, Example 124
CID 118114793
US9656988, Example 169
CID 118115010
US9656988, Example 140
CID 118115206
US9656988, Example 142
CID 118115277
US9656988, Example 122
CID 118115344
N-[3-[[4-[5-(4-methoxyphenyl)-3-pyridinyl]pyrimidin-2-yl]amino]-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 168489985
[4-[6-(4-Methoxyanilino)pyrimidin-4-yl]phenyl]-[4-(4-methoxybenzoyl)piperazin-1-yl]methanone
CID 122190867
[4-[[2-fluoro-4-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]phenoxy]methyl]phenyl]-[4-(methylamino)-2-quinolin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 177895754
{4-[4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidin-7-yl]-3-fluoro-phenyl}-(4-pyridin-4-yl-piperazin-1-yl)-methanone
CID 67385426
4-[4-{2-[bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidin-7-yl]-3-fluoro-N-pyridin-3-ylmethyl-benzamide
CID 67385598

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide (CID 158277113) is N-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide is CC(=O)NCCNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.CNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(Cc4ccccc4)cc3)c2)n1.CNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)n1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(N2CCNCC2)nc1.
What is the InChIKey of N-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is GJSXXQMRATYJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3.C24H21N5O3.C24H21N5O2.C20H20N6O2/c1-18(33)27-12-13-28-24-7-5-6-22(30-24)20-16-23(26(35)29-17-20)31-25(34)19-8-10-21(11-9-19)32-14-3-2-4-15-32;1-25-24-26-12-11-20(29-24)18-13-21(23(31)27-14-18)28-22(30)17-7-9-19(10-8-17)32-15-16-5-3-2-4-6-16;1-25-24-26-12-11-20(29-24)19-14-21(23(31)27-15-19)28-22(30)18-9-7-17(8-10-18)13-16-5-3-2-4-6-16;27-19(15-1-2-18(23-12-15)26-9-7-22-8-10-26)25-17-11-16(13-24-20(17)28)14-3-5-21-6-4-14/h5-11,16-17H,2-4,12-15H2,1H3,(H,27,33)(H,28,30)(H,29,35)(H,31,34);2-14H,15H2,1H3,(H,27,31)(H,28,30)(H,25,26,29);2-12,14-15H,13H2,1H3,(H,27,31)(H,28,30)(H,25,26,29);1-6,11-13,22H,7-10H2,(H,24,28)(H,25,27).
What are the key properties of N-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide?
N-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 1689.91 g/mol, XLogP of 12.14, 25 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(2-acetamidoethylamino)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;4-benzyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-6-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 158277113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).