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

C14H14ClN3O — CID 47166032

IUPAC4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccccc1NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C14H14ClN3O/c1-18(2)13-6-4-3-5-11(13)17-14(19)12-9-10(15)7-8-16-12/h3-9H,1-2H3,(H,17,19)
InChIKeyAVDZVSFRJYVNNU-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.05
Rot. Bonds3

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

4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 47166032) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide
PubChem CID47166032
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccccc1NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C14H14ClN3O/c1-18(2)13-6-4-3-5-11(13)17-14(19)12-9-10(15)7-8-16-12/h3-9H,1-2H3,(H,17,19)
InChIKeyAVDZVSFRJYVNNU-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

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Related Compounds

4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
4-chloro-N-(2-hydroxyphenyl)pyridine-2-carboxamide
CID 35852171
2,5-dichloro-N-[2-(dimethylamino)phenyl]benzamide
CID 30886701
2-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 62535920
2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752344
3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740156
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340906
N-[2-(dimethylamino)phenyl]-2-(methylamino)pyridine-3-carboxamide
CID 106760745
3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide
CID 107951985
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide
CID 57327120
(4-chloropyridine-2-carbonyl)carbamic acid
CID 174620541

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide (CID 47166032) is 4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide is CN(C)c1ccccc1NC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is AVDZVSFRJYVNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-18(2)13-6-4-3-5-11(13)17-14(19)12-9-10(15)7-8-16-12/h3-9H,1-2H3,(H,17,19).
What are the key properties of 4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide?
4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-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 4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 47166032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).