2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide

C21H16ClN3O — CID 110296890

IUPAC2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide
SMILESN#Cc1cccc(NC(=O)C(Cc2ccncc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H16ClN3O/c22-18-6-4-17(5-7-18)20(13-15-8-10-24-11-9-15)21(26)25-19-3-1-2-16(12-19)14-23/h1-12,20H,13H2,(H,25,26)
InChIKeyGJDDOYWQGHPZDA-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.57
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide

2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide (PubChem CID 110296890) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide
PubChem CID110296890
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC Name2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide
SMILESN#Cc1cccc(NC(=O)C(Cc2ccncc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H16ClN3O/c22-18-6-4-17(5-7-18)20(13-15-8-10-24-11-9-15)21(26)25-19-3-1-2-16(12-19)14-23/h1-12,20H,13H2,(H,25,26)
InChIKeyGJDDOYWQGHPZDA-UHFFFAOYSA-N
XLogP4.57
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide
CID 110615043
N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296389
3-[(2S)-1-(4-chlorophenyl)-3-oxobutan-2-yl]benzonitrile
CID 93476656
[2-(3-cyanoanilino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133370
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide
CID 51195259
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797230
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 16533688
(2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide
CID 9389720
2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 734703
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide
CID 110296865

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide (CID 110296890) is 2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide is N#Cc1cccc(NC(=O)C(Cc2ccncc2)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide?
The InChIKey is GJDDOYWQGHPZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c22-18-6-4-17(5-7-18)20(13-15-8-10-24-11-9-15)21(26)25-19-3-1-2-16(12-19)14-23/h1-12,20H,13H2,(H,25,26).
What are the key properties of 2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide?
2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide has a molecular weight of 361.83 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 110296890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).