2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide

C96H85N23O11 — CID 158790972

IUPAC2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(-c1cc(OC)cc(C)n1)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ccnc(OC)c1)n2-c1cnc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ncccc1N)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ncccc1NC(C)=O)n2-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C25H22N6O3.C25H23N5O3.C23H20N6O3.C23H20N6O2/c1-14(32)28-19-4-3-11-27-23(19)24-30-20-13-16(25(34)26-2)5-9-21(20)31(24)17-7-8-18-15(12-17)6-10-22(33)29-18;1-14-10-18(33-3)13-21(27-14)24-29-20-12-16(25(32)26-2)4-8-22(20)30(24)17-6-7-19-15(11-17)5-9-23(31)28-19;1-24-23(31)15-3-5-18-17(10-15)27-22(14-7-8-25-20(11-14)32-2)29(18)16-9-13-4-6-19(30)28-21(13)26-12-16;1-25-23(31)14-4-8-19-18(12-14)28-22(21-16(24)3-2-10-26-21)29(19)15-6-7-17-13(11-15)5-9-20(30)27-17/h3-5,7-9,11-13H,6,10H2,1-2H3,(H,26,34)(H,28,32)(H,29,33);4,6-8,10-13H,5,9H2,1-3H3,(H,26,32)(H,28,31);3,5,7-12H,4,6H2,1-2H3,(H,24,31)(H,26,28,30);2-4,6-8,10-12H,5,9,24H2,1H3,(H,25,31)(H,27,30)
InChIKeyISGUBNADZUEQMK-UHFFFAOYSA-N
MW1736.89 g/mol
LogP12.59
Rot. Bonds15

About 2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide

2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide (PubChem CID 158790972) has the molecular formula C96H85N23O11 and a molecular weight of 1736.89 g/mol. Its IUPAC name is 2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide
PubChem CID158790972
Molecular FormulaC96H85N23O11
Molecular Weight1736.89 g/mol
Exact Mass1735.68
IUPAC Name2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(-c1cc(OC)cc(C)n1)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ccnc(OC)c1)n2-c1cnc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ncccc1N)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ncccc1NC(C)=O)n2-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C25H22N6O3.C25H23N5O3.C23H20N6O3.C23H20N6O2/c1-14(32)28-19-4-3-11-27-23(19)24-30-20-13-16(25(34)26-2)5-9-21(20)31(24)17-7-8-18-15(12-17)6-10-22(33)29-18;1-14-10-18(33-3)13-21(27-14)24-29-20-12-16(25(32)26-2)4-8-22(20)30(24)17-6-7-19-15(11-17)5-9-23(31)28-19;1-24-23(31)15-3-5-18-17(10-15)27-22(14-7-8-25-20(11-14)32-2)29(18)16-9-13-4-6-19(30)28-21(13)26-12-16;1-25-23(31)14-4-8-19-18(12-14)28-22(21-16(24)3-2-10-26-21)29(19)15-6-7-17-13(11-15)5-9-20(30)27-17/h3-5,7-9,11-13H,6,10H2,1-2H3,(H,26,34)(H,28,32)(H,29,33);4,6-8,10-13H,5,9H2,1-3H3,(H,26,32)(H,28,31);3,5,7-12H,4,6H2,1-2H3,(H,24,31)(H,26,28,30);2-4,6-8,10-12H,5,9,24H2,1H3,(H,25,31)(H,27,30)
InChIKeyISGUBNADZUEQMK-UHFFFAOYSA-N
XLogP12.59
TPSA442.11 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001736.89
LogP ≤ 512.59
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide?
The IUPAC name of 2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide (CID 158790972) is 2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide is CNC(=O)c1ccc2c(c1)nc(-c1cc(OC)cc(C)n1)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ccnc(OC)c1)n2-c1cnc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ncccc1N)n2-c1ccc2c(c1)CCC(=O)N2.CNC(=O)c1ccc2c(c1)nc(-c1ncccc1NC(C)=O)n2-c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide?
The InChIKey is ISGUBNADZUEQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3.C25H23N5O3.C23H20N6O3.C23H20N6O2/c1-14(32)28-19-4-3-11-27-23(19)24-30-20-13-16(25(34)26-2)5-9-21(20)31(24)17-7-8-18-15(12-17)6-10-22(33)29-18;1-14-10-18(33-3)13-21(27-14)24-29-20-12-16(25(32)26-2)4-8-22(20)30(24)17-6-7-19-15(11-17)5-9-23(31)28-19;1-24-23(31)15-3-5-18-17(10-15)27-22(14-7-8-25-20(11-14)32-2)29(18)16-9-13-4-6-19(30)28-21(13)26-12-16;1-25-23(31)14-4-8-19-18(12-14)28-22(21-16(24)3-2-10-26-21)29(19)15-6-7-17-13(11-15)5-9-20(30)27-17/h3-5,7-9,11-13H,6,10H2,1-2H3,(H,26,34)(H,28,32)(H,29,33);4,6-8,10-13H,5,9H2,1-3H3,(H,26,32)(H,28,31);3,5,7-12H,4,6H2,1-2H3,(H,24,31)(H,26,28,30);2-4,6-8,10-12H,5,9,24H2,1H3,(H,25,31)(H,27,30).
What are the key properties of 2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide?
2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide has a molecular weight of 1736.89 g/mol, XLogP of 12.59, 15 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(3-amino-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(4-methoxy-6-methyl-2-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-(2-methoxy-4-pyridinyl)-N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 158790972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).