N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide

C14H13ClFN3O — CID 38898502

IUPACN-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFN3O/c1-19(2)13-10(4-3-7-17-13)14(20)18-9-5-6-12(16)11(15)8-9/h3-8H,1-2H3,(H,18,20)
InChIKeyYVGXDRWZDOWQGR-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.19
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide (PubChem CID 38898502) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
PubChem CID38898502
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFN3O/c1-19(2)13-10(4-3-7-17-13)14(20)18-9-5-6-12(16)11(15)8-9/h3-8H,1-2H3,(H,18,20)
InChIKeyYVGXDRWZDOWQGR-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38887368
2-(dimethylamino)-N-phenylpyridine-3-carboxamide
CID 38885522
N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898343
N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162873
2-(dimethylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 38886044
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110299286
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide
CID 68518720
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide (CID 38898502) is N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide is CN(C)c1ncccc1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is YVGXDRWZDOWQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-19(2)13-10(4-3-7-17-13)14(20)18-9-5-6-12(16)11(15)8-9/h3-8H,1-2H3,(H,18,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 293.73 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 38898502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).