N-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide

C24H34N4O — CID 45270335

IUPACN-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C24H34N4O/c1-24(2,3)14-22-25-20-17-27(13-12-21(20)28(22)16-19-10-11-19)23(29)26(4)15-18-8-6-5-7-9-18/h5-9,19H,10-17H2,1-4H3
InChIKeyTXZUNXUVCNXSRI-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.49
Rot. Bonds5

About N-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide

N-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 45270335) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is N-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
PubChem CID45270335
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC NameN-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C24H34N4O/c1-24(2,3)14-22-25-20-17-27(13-12-21(20)28(22)16-19-10-11-19)23(29)26(4)15-18-8-6-5-7-9-18/h5-9,19H,10-17H2,1-4H3
InChIKeyTXZUNXUVCNXSRI-UHFFFAOYSA-N
XLogP4.49
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide (CID 45270335) is N-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide is CN(Cc1ccccc1)C(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1.
What is the InChIKey of N-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is TXZUNXUVCNXSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-24(2,3)14-22-25-20-17-27(13-12-21(20)28(22)16-19-10-11-19)23(29)26(4)15-18-8-6-5-7-9-18/h5-9,19H,10-17H2,1-4H3.
What are the key properties of N-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
N-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 394.56 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 45270335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).