4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide

C16H14ClN3O — CID 81228521

IUPAC4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide
SMILESCC(C)(C#N)c1ccc(NC(=O)c2cnccc2Cl)cc1
InChIInChI=1S/C16H14ClN3O/c1-16(2,10-18)11-3-5-12(6-4-11)20-15(21)13-9-19-8-7-14(13)17/h3-9H,1-2H3,(H,20,21)
InChIKeyNOZYRFNKAPPONM-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.79
Rot. Bonds3

About 4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide

4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 81228521) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID81228521
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide
SMILESCC(C)(C#N)c1ccc(NC(=O)c2cnccc2Cl)cc1
InChIInChI=1S/C16H14ClN3O/c1-16(2,10-18)11-3-5-12(6-4-11)20-15(21)13-9-19-8-7-14(13)17/h3-9H,1-2H3,(H,20,21)
InChIKeyNOZYRFNKAPPONM-UHFFFAOYSA-N
XLogP3.79
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 138041122
4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 81229781
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-3-carboxamide
CID 107701234
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81226788
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431
4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860907
4-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 81227052
4-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81230238
4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide
CID 81233280
4-chloro-N-(2-methoxy-4-pyridinyl)pyridine-3-carboxamide
CID 112739518
4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide
CID 114003049

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide (CID 81228521) is 4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide is CC(C)(C#N)c1ccc(NC(=O)c2cnccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is NOZYRFNKAPPONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-16(2,10-18)11-3-5-12(6-4-11)20-15(21)13-9-19-8-7-14(13)17/h3-9H,1-2H3,(H,20,21).
What are the key properties of 4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide?
4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 3.79, 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-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 81228521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).