5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

C25H30N4O — CID 131660347

IUPAC5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)C2c3c(ncn3C(C)C)CCN2Cc2ccccc2)c1C
InChIInChI=1S/C25H30N4O/c1-17(2)29-16-26-22-13-14-28(15-20-10-6-5-7-11-20)24(23(22)29)25(30)27-21-12-8-9-18(3)19(21)4/h5-12,16-17,24H,13-15H2,1-4H3,(H,27,30)
InChIKeyGMYNCBZSDRQDRS-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.82
Rot. Bonds5

About 5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 131660347) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID131660347
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)C2c3c(ncn3C(C)C)CCN2Cc2ccccc2)c1C
InChIInChI=1S/C25H30N4O/c1-17(2)29-16-26-22-13-14-28(15-20-10-6-5-7-11-20)24(23(22)29)25(30)27-21-12-8-9-18(3)19(21)4/h5-12,16-17,24H,13-15H2,1-4H3,(H,27,30)
InChIKeyGMYNCBZSDRQDRS-UHFFFAOYSA-N
XLogP4.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 97361522
[(4S)-5-benzyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 97361571
(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide
CID 172904902
2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 8902404
2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 95115832
1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
CID 18146607
1-(4-benzylpiperazin-1-yl)-2-(2,3-dimethylanilino)ethanone
CID 109002020
N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45012649
benzyl (2S,4S)-2-[(2,3-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 1251151
2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 5030995

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (CID 131660347) is 5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for 5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is Cc1cccc(NC(=O)C2c3c(ncn3C(C)C)CCN2Cc2ccccc2)c1C.
What is the InChIKey of 5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is GMYNCBZSDRQDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-17(2)29-16-26-22-13-14-28(15-20-10-6-5-7-11-20)24(23(22)29)25(30)27-21-12-8-9-18(3)19(21)4/h5-12,16-17,24H,13-15H2,1-4H3,(H,27,30).
What are the key properties of 5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 131660347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).