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

C13H13ClN4O — CID 66482742

IUPAC3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide
SMILESCN(C)c1ncccc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C13H13ClN4O/c1-18(2)12-11(4-3-6-16-12)17-13(19)9-5-7-15-8-10(9)14/h3-8H,1-2H3,(H,17,19)
InChIKeyPGWAOFDXZFOZKV-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.45
Rot. Bonds3

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

3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 66482742) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID66482742
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide
SMILESCN(C)c1ncccc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C13H13ClN4O/c1-18(2)12-11(4-3-6-16-12)17-13(19)9-5-7-15-8-10(9)14/h3-8H,1-2H3,(H,17,19)
InChIKeyPGWAOFDXZFOZKV-UHFFFAOYSA-N
XLogP2.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 66484881
N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 47234684
3-chloro-N-(2-hydroxyphenyl)pyridine-4-carboxamide
CID 103715642
4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide
CID 47234649
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804
3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
CID 66462249
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
3-chloro-N-(3-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 66484528
3-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
CID 66482935
4-(chloromethyl)-N-[2-(dimethylamino)-3-pyridinyl]benzamide
CID 43698922
3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
CID 66482984
3-chloro-N-quinolin-6-ylpyridine-4-carboxamide
CID 66484536

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide (CID 66482742) is 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide is CN(C)c1ncccc1NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is PGWAOFDXZFOZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-18(2)12-11(4-3-6-16-12)17-13(19)9-5-7-15-8-10(9)14/h3-8H,1-2H3,(H,17,19).
What are the key properties of 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide?
3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 66482742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).