4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

C14H15ClN4O — CID 81226426

IUPAC4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCn1ccnc1CN(C(=O)c1cnccc1Cl)C1CC1
InChIInChI=1S/C14H15ClN4O/c1-18-7-6-17-13(18)9-19(10-2-3-10)14(20)11-8-16-5-4-12(11)15/h4-8,10H,2-3,9H2,1H3
InChIKeyVMEAKTONWLEYAZ-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.27
Rot. Bonds4

About 4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 81226426) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID81226426
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCn1ccnc1CN(C(=O)c1cnccc1Cl)C1CC1
InChIInChI=1S/C14H15ClN4O/c1-18-7-6-17-13(18)9-19(10-2-3-10)14(20)11-8-16-5-4-12(11)15/h4-8,10H,2-3,9H2,1H3
InChIKeyVMEAKTONWLEYAZ-UHFFFAOYSA-N
XLogP2.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide
CID 61051446
4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 81229618
3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61108887
N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63977624
3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 106545014
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide
CID 51090240
N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 56741582
3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946346
3-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946703
N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 42796220

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (CID 81226426) is 4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is Cn1ccnc1CN(C(=O)c1cnccc1Cl)C1CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is VMEAKTONWLEYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-18-7-6-17-13(18)9-19(10-2-3-10)14(20)11-8-16-5-4-12(11)15/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81226426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).