N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide

C19H18N6O — CID 157017292

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide
SMILESCc1nc2c(C(=O)NCc3ccccc3-n3ccnc3)ccnc2n1C
InChIInChI=1S/C19H18N6O/c1-13-23-17-15(7-8-21-18(17)24(13)2)19(26)22-11-14-5-3-4-6-16(14)25-10-9-20-12-25/h3-10,12H,11H2,1-2H3,(H,22,26)
InChIKeyMBQVFDZUSOBBEV-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.39
Rot. Bonds4

About N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide

N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 157017292) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide
PubChem CID157017292
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide
SMILESCc1nc2c(C(=O)NCc3ccccc3-n3ccnc3)ccnc2n1C
InChIInChI=1S/C19H18N6O/c1-13-23-17-15(7-8-21-18(17)24(13)2)19(26)22-11-14-5-3-4-6-16(14)25-10-9-20-12-25/h3-10,12H,11H2,1-2H3,(H,22,26)
InChIKeyMBQVFDZUSOBBEV-UHFFFAOYSA-N
XLogP2.39
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771026
N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide
CID 131914367
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
3-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154891991
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
CID 84595607
2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
1-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359195
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
5-(azepan-1-ylsulfonyl)-N-[(2-imidazol-1-ylphenyl)methyl]-2-methylbenzamide
CID 46763297
N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28633540
N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51092191
N-[(2-imidazol-1-ylphenyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50983614

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide (CID 157017292) is N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide is Cc1nc2c(C(=O)NCc3ccccc3-n3ccnc3)ccnc2n1C.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is MBQVFDZUSOBBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13-23-17-15(7-8-21-18(17)24(13)2)19(26)22-11-14-5-3-4-6-16(14)25-10-9-20-12-25/h3-10,12H,11H2,1-2H3,(H,22,26).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide?
N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 157017292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).