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

C14H14ClN3O — CID 84580348

IUPAC2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2cccnc2Cl)c1
InChIInChI=1S/C14H14ClN3O/c1-18(2)11-6-3-5-10(9-11)17-14(19)12-7-4-8-16-13(12)15/h3-9H,1-2H3,(H,17,19)
InChIKeyOBRSHCQMHYVSQH-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.05
Rot. Bonds3

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

2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide (PubChem CID 84580348) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
PubChem CID84580348
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2cccnc2Cl)c1
InChIInChI=1S/C14H14ClN3O/c1-18(2)11-6-3-5-10(9-11)17-14(19)12-7-4-8-16-13(12)15/h3-9H,1-2H3,(H,17,19)
InChIKeyOBRSHCQMHYVSQH-UHFFFAOYSA-N
XLogP3.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.05
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-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 4063614
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide
CID 115376771
2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
CID 61041501
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115930633
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide
CID 107033296
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 61040465
2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103738978
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide (CID 84580348) is 2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide is CN(C)c1cccc(NC(=O)c2cccnc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is OBRSHCQMHYVSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-18(2)11-6-3-5-10(9-11)17-14(19)12-7-4-8-16-13(12)15/h3-9H,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide?
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 84580348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).