2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide

C12H11ClN4O — CID 114110725

IUPAC2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccncn2)cc(Cl)n1
InChIInChI=1S/C12H11ClN4O/c1-8-4-9(5-11(13)17-8)12(18)15-6-10-2-3-14-7-16-10/h2-5,7H,6H2,1H3,(H,15,18)
InChIKeyUFSAFRBVAKPMKK-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.76
Rot. Bonds3

About 2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide

2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 114110725) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide
PubChem CID114110725
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccncn2)cc(Cl)n1
InChIInChI=1S/C12H11ClN4O/c1-8-4-9(5-11(13)17-8)12(18)15-6-10-2-3-14-7-16-10/h2-5,7H,6H2,1H3,(H,15,18)
InChIKeyUFSAFRBVAKPMKK-UHFFFAOYSA-N
XLogP1.76
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.76
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

2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 113378416
2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide
CID 77082981
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 62236272
2,5-dihydroxy-N-(pyrimidin-4-ylmethyl)benzamide
CID 114111164
2-bromo-5-chloro-N-(pyrimidin-4-ylmethyl)benzamide
CID 114111113
2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide
CID 104952601
2-amino-6-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55057389
N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 104955488

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide (CID 114110725) is 2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide is Cc1cc(C(=O)NCc2ccncn2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is UFSAFRBVAKPMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-8-4-9(5-11(13)17-8)12(18)15-6-10-2-3-14-7-16-10/h2-5,7H,6H2,1H3,(H,15,18).
What are the key properties of 2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide?
2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114110725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).