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

C13H12ClN3O — CID 63306782

IUPAC6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1cccnc1CNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H12ClN3O/c1-9-4-3-7-15-11(9)8-16-13(18)10-5-2-6-12(14)17-10/h2-7H,8H2,1H3,(H,16,18)
InChIKeyQTKWGZNTGZBQNP-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.37
Rot. Bonds3

About 6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide

6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 63306782) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID63306782
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1cccnc1CNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H12ClN3O/c1-9-4-3-7-15-11(9)8-16-13(18)10-5-2-6-12(14)17-10/h2-7H,8H2,1H3,(H,16,18)
InChIKeyQTKWGZNTGZBQNP-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

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
5-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104641317
6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 78989446
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
CID 44520959
6-chloro-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 62234229
3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 66482597
3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid
CID 63309087
6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 55052730
3-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2-nitrobenzamide
CID 79832472
2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate
CID 63373657
6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62413892

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide (CID 63306782) is 6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide is Cc1cccnc1CNC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is QTKWGZNTGZBQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-9-4-3-7-15-11(9)8-16-13(18)10-5-2-6-12(14)17-10/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of 6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-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 6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 63306782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).