3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide

C14H13ClN2O — CID 66462440

IUPAC3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccncc2Cl)cc1
InChIInChI=1S/C14H13ClN2O/c1-10-2-4-11(5-3-10)8-17-14(18)12-6-7-16-9-13(12)15/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyDYKOOQFNYZCQGH-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.97
Rot. Bonds3

About 3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide

3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 66462440) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID66462440
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccncc2Cl)cc1
InChIInChI=1S/C14H13ClN2O/c1-10-2-4-11(5-3-10)8-17-14(18)12-6-7-16-9-13(12)15/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyDYKOOQFNYZCQGH-UHFFFAOYSA-N
XLogP2.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide
CID 66482036
N-[(4-carbamothioylphenyl)methyl]-3-chloropyridine-4-carboxamide
CID 66462420
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344
3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66483783
3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 66482597
3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide
CID 105062327
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-4-carboxamide
CID 103714838
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
N-but-2-ynyl-3-chloropyridine-4-carboxamide
CID 115866885
3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66484894

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (CID 66462440) is 3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is Cc1ccc(CNC(=O)c2ccncc2Cl)cc1.
What is the InChIKey of 3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is DYKOOQFNYZCQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-10-2-4-11(5-3-10)8-17-14(18)12-6-7-16-9-13(12)15/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 260.72 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66462440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).