2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C12H10ClN3O — CID 4165114

IUPAC2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cccnc1Cl
InChIInChI=1S/C12H10ClN3O/c13-11-10(2-1-5-15-11)12(17)16-8-9-3-6-14-7-4-9/h1-7H,8H2,(H,16,17)
InChIKeyAGUVJWDDWZKLAT-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.06
Rot. Bonds3

About 2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 4165114) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID4165114
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cccnc1Cl
InChIInChI=1S/C12H10ClN3O/c13-11-10(2-1-5-15-11)12(17)16-8-9-3-6-14-7-4-9/h1-7H,8H2,(H,16,17)
InChIKeyAGUVJWDDWZKLAT-UHFFFAOYSA-N
XLogP2.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.06
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-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 113227298
2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 26999108
2-(dimethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 110299234
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 53014032
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 104600464
2-chloro-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170601971
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
CID 106396006

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 4165114) is 2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccncc1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is AGUVJWDDWZKLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-11-10(2-1-5-15-11)12(17)16-8-9-3-6-14-7-4-9/h1-7H,8H2,(H,16,17).
What are the key properties of 2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 247.69 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 4165114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).