N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide

C19H21N3O2 — CID 86979650

IUPACN-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1ccc(C#N)cc1)C(=O)CCn1ccccc1=O
InChIInChI=1S/C19H21N3O2/c1-15(2)22(14-17-8-6-16(13-20)7-9-17)19(24)10-12-21-11-4-3-5-18(21)23/h3-9,11,15H,10,12,14H2,1-2H3
InChIKeyVVTIKTKWKIDHPL-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.55
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide

N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide (PubChem CID 86979650) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide
PubChem CID86979650
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1ccc(C#N)cc1)C(=O)CCn1ccccc1=O
InChIInChI=1S/C19H21N3O2/c1-15(2)22(14-17-8-6-16(13-20)7-9-17)19(24)10-12-21-11-4-3-5-18(21)23/h3-9,11,15H,10,12,14H2,1-2H3
InChIKeyVVTIKTKWKIDHPL-UHFFFAOYSA-N
XLogP2.55
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid
CID 60832892
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide
CID 86979589
N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86834751
N-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide
CID 86984792
N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide
CID 86931824
N-[(4-cyanophenyl)methyl]-2-methyl-1,3-dioxo-N-propan-2-ylisoindole-5-carboxamide
CID 86927009
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid
CID 62033536
3-[2-(2-oxo-1-pyridinyl)ethyl-propan-2-ylamino]propanenitrile
CID 79004000
N-benzyl-3-morpholin-4-yl-N-propan-2-ylpropanamide
CID 110688462
N-benzyl-2-cyano-N-propan-2-ylacetamide
CID 24702925
3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide
CID 92930297

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide (CID 86979650) is N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide is CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCn1ccccc1=O.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide?
The InChIKey is VVTIKTKWKIDHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15(2)22(14-17-8-6-16(13-20)7-9-17)19(24)10-12-21-11-4-3-5-18(21)23/h3-9,11,15H,10,12,14H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide?
N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide has a molecular weight of 323.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 86979650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).