N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

C22H20N4O5 — CID 59980667

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(-c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cn2)cc(OC)c1OC
InChIInChI=1S/C22H20N4O5/c1-29-18-8-13(9-19(30-2)20(18)31-3)15-6-4-12(11-23-15)21(27)24-14-5-7-16-17(10-14)26-22(28)25-16/h4-11H,1-3H3,(H,24,27)(H2,25,26,28)
InChIKeyCBRVQLISSMSJSN-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.20
Rot. Bonds6

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 59980667) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
PubChem CID59980667
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(-c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cn2)cc(OC)c1OC
InChIInChI=1S/C22H20N4O5/c1-29-18-8-13(9-19(30-2)20(18)31-3)15-6-4-12(11-23-15)21(27)24-14-5-7-16-17(10-14)26-22(28)25-16/h4-11H,1-3H3,(H,24,27)(H2,25,26,28)
InChIKeyCBRVQLISSMSJSN-UHFFFAOYSA-N
XLogP3.20
TPSA118.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide
CID 27033587
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-phenoxypyridine-3-carboxamide
CID 47046694
3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide
CID 15990360
2-methoxy-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 35624437
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 84580880
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propoxybenzamide
CID 2994717
5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
CID 155114034
N-(2-methyl-4-pyridinyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692425
6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109162280
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (CID 59980667) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is COc1cc(-c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cn2)cc(OC)c1OC.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is CBRVQLISSMSJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-29-18-8-13(9-19(30-2)20(18)31-3)15-6-4-12(11-23-15)21(27)24-14-5-7-16-17(10-14)26-22(28)25-16/h4-11H,1-3H3,(H,24,27)(H2,25,26,28).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 59980667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).