N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide

C16H16N4O — CID 109201674

IUPACN-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)Nc1ccnc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H16N4O/c1-11(2)19-14-7-8-18-15(9-14)16(21)20-13-5-3-12(10-17)4-6-13/h3-9,11H,1-2H3,(H,18,19)(H,20,21)
InChIKeyJZMOJUZNAGEOQU-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.03
Rot. Bonds4

About N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide

N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 109201674) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID109201674
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)Nc1ccnc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H16N4O/c1-11(2)19-14-7-8-18-15(9-14)16(21)20-13-5-3-12(10-17)4-6-13/h3-9,11H,1-2H3,(H,18,19)(H,20,21)
InChIKeyJZMOJUZNAGEOQU-UHFFFAOYSA-N
XLogP3.03
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201597
4-anilino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109218921
N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201582
N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201642
4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109222360
N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109220123
4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109089232
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide
CID 109221263
N-(4-cyanophenyl)-4-(2,5-dichloroanilino)pyridine-2-carboxamide
CID 109222641
4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109201591
4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63650036

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide (CID 109201674) is N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide is CC(C)Nc1ccnc(C(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is JZMOJUZNAGEOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11(2)19-14-7-8-18-15(9-14)16(21)20-13-5-3-12(10-17)4-6-13/h3-9,11H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109201674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).