4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide

C12H11ClN4O — CID 81226586

IUPAC4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nccc(CNC(=O)c2cnccc2Cl)n1
InChIInChI=1S/C12H11ClN4O/c1-8-15-5-2-9(17-8)6-16-12(18)10-7-14-4-3-11(10)13/h2-5,7H,6H2,1H3,(H,16,18)
InChIKeyWSEQORMGJCGETL-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.76
Rot. Bonds3

About 4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide

4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 81226586) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID81226586
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nccc(CNC(=O)c2cnccc2Cl)n1
InChIInChI=1S/C12H11ClN4O/c1-8-15-5-2-9(17-8)6-16-12(18)10-7-14-4-3-11(10)13/h2-5,7H,6H2,1H3,(H,16,18)
InChIKeyWSEQORMGJCGETL-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

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Related Compounds

4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81243134
4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81255907
5,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 47298865
2-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-5-nitrobenzamide
CID 61052943
2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110
4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 81232495
4-amino-3,5-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 82832714
4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide
CID 81233279
2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 47312763
4-bromo-3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 80972967
N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide
CID 60537589
5-amino-N-[(2-methylpyrimidin-4-yl)methyl]pyrazine-2-carboxamide
CID 113381906

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide (CID 81226586) is 4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide is Cc1nccc(CNC(=O)c2cnccc2Cl)n1.
What is the InChIKey of 4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is WSEQORMGJCGETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-8-15-5-2-9(17-8)6-16-12(18)10-7-14-4-3-11(10)13/h2-5,7H,6H2,1H3,(H,16,18).
What are the key properties of 4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-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 4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81226586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).