N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide

C22H19N5O3 — CID 176503428

IUPACN-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)c2cnc3c(c2)ncn3-c2ccccc2)c1
InChIInChI=1S/C22H19N5O3/c1-23-21(28)14-8-9-19(30-2)17(10-14)26-22(29)15-11-18-20(24-12-15)27(13-25-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,28)(H,26,29)
InChIKeyGQVUBAQNANEQPJ-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.04
Rot. Bonds5

About N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide

N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176503428) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176503428
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)c2cnc3c(c2)ncn3-c2ccccc2)c1
InChIInChI=1S/C22H19N5O3/c1-23-21(28)14-8-9-19(30-2)17(10-14)26-22(29)15-11-18-20(24-12-15)27(13-25-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,28)(H,26,29)
InChIKeyGQVUBAQNANEQPJ-UHFFFAOYSA-N
XLogP3.04
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(dimethylamino)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 78887354
N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39341853
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
4-methoxy-N-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
CID 23400175
N-(2,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39331968
N-[2-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide
CID 118867964
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 78887349
3-(3-methoxyphenyl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 11198589
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
5-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121191
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506543

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide (CID 176503428) is N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide is CNC(=O)c1ccc(OC)c(NC(=O)c2cnc3c(c2)ncn3-c2ccccc2)c1.
What is the InChIKey of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is GQVUBAQNANEQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-23-21(28)14-8-9-19(30-2)17(10-14)26-22(29)15-11-18-20(24-12-15)27(13-25-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,28)(H,26,29).
What are the key properties of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176503428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).