N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide

C17H22N4O — CID 42796220

IUPACN-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCn1ccnc1CN(C(=O)c1ccccn1)C1CCCCC1
InChIInChI=1S/C17H22N4O/c1-20-12-11-19-16(20)13-21(14-7-3-2-4-8-14)17(22)15-9-5-6-10-18-15/h5-6,9-12,14H,2-4,7-8,13H2,1H3
InChIKeyRIJGVXJIZCTNRD-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.79
Rot. Bonds4

About N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide

N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 42796220) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
PubChem CID42796220
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCn1ccnc1CN(C(=O)c1ccccn1)C1CCCCC1
InChIInChI=1S/C17H22N4O/c1-20-12-11-19-16(20)13-21(14-7-3-2-4-8-14)17(22)15-9-5-6-10-18-15/h5-6,9-12,14H,2-4,7-8,13H2,1H3
InChIKeyRIJGVXJIZCTNRD-UHFFFAOYSA-N
XLogP2.79
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide
CID 61051446
N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide
CID 42796445
3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946346
N-cyclopentyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 54994544
2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone
CID 112731558
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63977624
(2R)-2-cyclohexyl-N-cyclopropyl-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 90652770
3-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946703
3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61108887
N-cyclopentyl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 86927162

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide (CID 42796220) is N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide is Cn1ccnc1CN(C(=O)c1ccccn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is RIJGVXJIZCTNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20-12-11-19-16(20)13-21(14-7-3-2-4-8-14)17(22)15-9-5-6-10-18-15/h5-6,9-12,14H,2-4,7-8,13H2,1H3.
What are the key properties of N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 42796220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).