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

C13H12ClN3O — CID 66482597

IUPAC3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCc1cccnc1CNC(=O)c1ccncc1Cl
InChIInChI=1S/C13H12ClN3O/c1-9-3-2-5-16-12(9)8-17-13(18)10-4-6-15-7-11(10)14/h2-7H,8H2,1H3,(H,17,18)
InChIKeyBTVUXALMWWRNIZ-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.37
Rot. Bonds3

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

3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 66482597) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID66482597
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCc1cccnc1CNC(=O)c1ccncc1Cl
InChIInChI=1S/C13H12ClN3O/c1-9-3-2-5-16-12(9)8-17-13(18)10-4-6-15-7-11(10)14/h2-7H,8H2,1H3,(H,17,18)
InChIKeyBTVUXALMWWRNIZ-UHFFFAOYSA-N
XLogP2.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide
CID 63372813
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
3-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2-nitrobenzamide
CID 79832472
3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 79079687
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
5-chloro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309175
2,5-dihydroxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103892445
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641
6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 63306782
5-amino-1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 113288594
2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853950

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide (CID 66482597) is 3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide is Cc1cccnc1CNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is BTVUXALMWWRNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-9-3-2-5-16-12(9)8-17-13(18)10-4-6-15-7-11(10)14/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide?
3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66482597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).