3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide

C21H23N5O3 — CID 176501437

IUPAC3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1cccc(NC(=O)c2cnc3c(c2)ncn3C2CC2)c1C
InChIInChI=1S/C21H23N5O3/c1-13-16(21(28)22-8-9-29-2)4-3-5-17(13)25-20(27)14-10-18-19(23-11-14)26(12-24-18)15-6-7-15/h3-5,10-12,15H,6-9H2,1-2H3,(H,22,28)(H,25,27)
InChIKeyGJBFAAOCPMQVRT-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.70
Rot. Bonds7

About 3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide

3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176501437) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176501437
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1cccc(NC(=O)c2cnc3c(c2)ncn3C2CC2)c1C
InChIInChI=1S/C21H23N5O3/c1-13-16(21(28)22-8-9-29-2)4-3-5-17(13)25-20(27)14-10-18-19(23-11-14)26(12-24-18)15-6-7-15/h3-5,10-12,15H,6-9H2,1-2H3,(H,22,28)(H,25,27)
InChIKeyGJBFAAOCPMQVRT-UHFFFAOYSA-N
XLogP2.70
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide
CID 131921932
3-cyclopropyl-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176506052
3-cyclopropyl-N-(2-morpholin-4-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644669
3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176506597
3-cyclopentyl-N-[1-(2-methoxyphenoxy)propan-2-yl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176504062
3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175641054
3-formamido-N-(2-methoxyethyl)-2-methylbenzamide
CID 168654330
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155
N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506963
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504000
3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176506847
5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103641

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 176501437) is 3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide is COCCNC(=O)c1cccc(NC(=O)c2cnc3c(c2)ncn3C2CC2)c1C.
What is the InChIKey of 3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is GJBFAAOCPMQVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13-16(21(28)22-8-9-29-2)4-3-5-17(13)25-20(27)14-10-18-19(23-11-14)26(12-24-18)15-6-7-15/h3-5,10-12,15H,6-9H2,1-2H3,(H,22,28)(H,25,27).
What are the key properties of 3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176501437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).