N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide

C21H18N4O — CID 113037072

IUPACN-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)CCc2ccccc2)nc1
InChIInChI=1S/C21H18N4O/c22-14-17-8-4-5-9-19(17)24-18-11-12-20(23-15-18)25-21(26)13-10-16-6-2-1-3-7-16/h1-9,11-12,15,24H,10,13H2,(H,23,25,26)
InChIKeyNWDRBUPCJBOAEK-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.27
Rot. Bonds6

About N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide

N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide (PubChem CID 113037072) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide
PubChem CID113037072
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)CCc2ccccc2)nc1
InChIInChI=1S/C21H18N4O/c22-14-17-8-4-5-9-19(17)24-18-11-12-20(23-15-18)25-21(26)13-10-16-6-2-1-3-7-16/h1-9,11-12,15,24H,10,13H2,(H,23,25,26)
InChIKeyNWDRBUPCJBOAEK-UHFFFAOYSA-N
XLogP4.27
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide
CID 113037039
3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide
CID 113037437
N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113037053
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011
N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113037041
N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016114
N-[5-(2-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113037046
N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022692
N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide
CID 113037695
N-(2-cyanophenyl)-3-pyridin-3-ylpropanamide
CID 110864606
N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide
CID 113051334

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide (CID 113037072) is N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide is N#Cc1ccccc1Nc1ccc(NC(=O)CCc2ccccc2)nc1.
What is the InChIKey of N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide?
The InChIKey is NWDRBUPCJBOAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c22-14-17-8-4-5-9-19(17)24-18-11-12-20(23-15-18)25-21(26)13-10-16-6-2-1-3-7-16/h1-9,11-12,15,24H,10,13H2,(H,23,25,26).
What are the key properties of N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide?
N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide has a molecular weight of 342.40 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 113037072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).