N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide

C22H23N3O2 — CID 155548555

IUPACN-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NCc1cccnc1
InChIInChI=1S/C22H23N3O2/c1-15(2)20(22(27)24-14-16-6-5-11-23-13-16)25-21(26)19-10-9-17-7-3-4-8-18(17)12-19/h3-13,15,20H,14H2,1-2H3,(H,24,27)(H,25,26)/t20-/m0/s1
InChIKeyINCWFWMGLZHBGT-FQEVSTJZSA-N
MW361.44 g/mol
LogP3.31
Rot. Bonds6

About N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide

N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide (PubChem CID 155548555) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide
PubChem CID155548555
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NCc1cccnc1
InChIInChI=1S/C22H23N3O2/c1-15(2)20(22(27)24-14-16-6-5-11-23-13-16)25-21(26)19-10-9-17-7-3-4-8-18(17)12-19/h3-13,15,20H,14H2,1-2H3,(H,24,27)(H,25,26)/t20-/m0/s1
InChIKeyINCWFWMGLZHBGT-FQEVSTJZSA-N
XLogP3.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide (CID 155548555) is N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide is CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NCc1cccnc1.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide?
The InChIKey is INCWFWMGLZHBGT-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(2)20(22(27)24-14-16-6-5-11-23-13-16)25-21(26)19-10-9-17-7-3-4-8-18(17)12-19/h3-13,15,20H,14H2,1-2H3,(H,24,27)(H,25,26)/t20-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide?
N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 155548555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).