6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide

C12H13ClN4O — CID 112668767

IUPAC6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H13ClN4O/c1-8-10(7-17(2)16-8)6-15-12(18)9-3-4-11(13)14-5-9/h3-5,7H,6H2,1-2H3,(H,15,18)
InChIKeyJUHFWRGHPCKSMV-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.71
Rot. Bonds3

About 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide

6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 112668767) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID112668767
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H13ClN4O/c1-8-10(7-17(2)16-8)6-15-12(18)9-3-4-11(13)14-5-9/h3-5,7H,6H2,1-2H3,(H,15,18)
InChIKeyJUHFWRGHPCKSMV-UHFFFAOYSA-N
XLogP1.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112671966
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 115991703
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 115991433
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 115991489
6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 110902455
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
CID 113237981
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 112668776
2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112668155
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide
CID 112671971
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide (CID 112668767) is 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide is Cc1nn(C)cc1CNC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is JUHFWRGHPCKSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8-10(7-17(2)16-8)6-15-12(18)9-3-4-11(13)14-5-9/h3-5,7H,6H2,1-2H3,(H,15,18).
What are the key properties of 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 112668767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).