N-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide

C18H19N3O2 — CID 97061706

IUPACN-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide
SMILESC[C@@H](CCO)N(Cc1ccccc1)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C18H19N3O2/c1-14(9-10-22)21(13-15-5-3-2-4-6-15)18(23)17-8-7-16(11-19)12-20-17/h2-8,12,14,22H,9-10,13H2,1H3/t14-/m0/s1
InChIKeyTUZOLFLJWPWURB-AWEZNQCLSA-N
MW309.37 g/mol
LogP2.37
Rot. Bonds6

About N-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide

N-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide (PubChem CID 97061706) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide
PubChem CID97061706
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide
SMILESC[C@@H](CCO)N(Cc1ccccc1)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C18H19N3O2/c1-14(9-10-22)21(13-15-5-3-2-4-6-15)18(23)17-8-7-16(11-19)12-20-17/h2-8,12,14,22H,9-10,13H2,1H3/t14-/m0/s1
InChIKeyTUZOLFLJWPWURB-AWEZNQCLSA-N
XLogP2.37
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide 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

Piberaline
CID 65975
CID 24861238
CID 24861238
N-{2-[(phenylcarbonyl)amino]ethyl}pyridine-2-carboxamide
CID 2986667
[3-Methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 4883220
N-(3-cyanophenyl)pyridine-2-carboxamide
CID 2445811
5-[2-(3-Fluorophenyl)ethynyl]-N-(2-hydroxy-1,1-dimethylethyl)-2-pyridinecarboxamide
CID 53384874
2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
CID 71667380
5-[2-(3-fluorophenyl)ethynyl]-N-(3-hydroxy-3-methylbutyl)pyridine-2-carboxamide
CID 72711274
N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide
CID 72713624
N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(4-methylphenyl)ethynyl]pyridine-2-carboxamide
CID 72713852
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-phenylpyridine-4-carboxamide
CID 89705195
N-(2-Cyanophenyl)pyridine-2-carboxamide
CID 24700711

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide (CID 97061706) is N-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide is C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1ccc(C#N)cn1.
What is the InChIKey of N-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide?
The InChIKey is TUZOLFLJWPWURB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-14(9-10-22)21(13-15-5-3-2-4-6-15)18(23)17-8-7-16(11-19)12-20-17/h2-8,12,14,22H,9-10,13H2,1H3/t14-/m0/s1.
What are the key properties of N-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide?
N-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 97061706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).