4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide

C15H14ClN3O2 — CID 81229781

IUPAC4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cnccc2Cl)cc1
InChIInChI=1S/C15H14ClN3O2/c1-19(2)15(21)10-3-5-11(6-4-10)18-14(20)12-9-17-8-7-13(12)16/h3-9H,1-2H3,(H,18,20)
InChIKeyFYNDTOVCRYRZMR-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.69
Rot. Bonds3

About 4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide

4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 81229781) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID81229781
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cnccc2Cl)cc1
InChIInChI=1S/C15H14ClN3O2/c1-19(2)15(21)10-3-5-11(6-4-10)18-14(20)12-9-17-8-7-13(12)16/h3-9H,1-2H3,(H,18,20)
InChIKeyFYNDTOVCRYRZMR-UHFFFAOYSA-N
XLogP2.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698586
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 8698727
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-3-carboxamide
CID 107701234
4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide
CID 81228521
1-(4-chlorophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 39694176
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81226788
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 81227089
3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide
CID 131944597
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431
6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 62234186
4-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81230238

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 81229781) is 4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide is CN(C)C(=O)c1ccc(NC(=O)c2cnccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is FYNDTOVCRYRZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-19(2)15(21)10-3-5-11(6-4-10)18-14(20)12-9-17-8-7-13(12)16/h3-9H,1-2H3,(H,18,20).
What are the key properties of 4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide?
4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 81229781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).