2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide

C17H21N3O — CID 119875674

IUPAC2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide
SMILESCCCC(N)C(=O)NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C17H21N3O/c1-2-7-15(18)17(21)20-16(13-8-4-3-5-9-13)14-10-6-11-19-12-14/h3-6,8-12,15-16H,2,7,18H2,1H3,(H,20,21)
InChIKeyZYLRGFYVNXKGBB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.41
Rot. Bonds6

About 2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide

2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide (PubChem CID 119875674) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide
PubChem CID119875674
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide
SMILESCCCC(N)C(=O)NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C17H21N3O/c1-2-7-15(18)17(21)20-16(13-8-4-3-5-9-13)14-10-6-11-19-12-14/h3-6,8-12,15-16H,2,7,18H2,1H3,(H,20,21)
InChIKeyZYLRGFYVNXKGBB-UHFFFAOYSA-N
XLogP2.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide 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-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide
CID 119271036
(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 103831911
(2R)-2-amino-N-[(1S)-1-pyridin-3-ylethyl]hexanamide
CID 93339984
2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
CID 119875686
(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 104984672
(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
CID 107569369
(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 107568606
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
(2S)-2-amino-4-methylsulfanyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81405060
2-amino-N-(1,1-diphenylpropan-2-yl)pentanamide
CID 119285600

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide?
The IUPAC name of 2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide (CID 119875674) is 2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide is CCCC(N)C(=O)NC(c1ccccc1)c1cccnc1.
What is the InChIKey of 2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide?
The InChIKey is ZYLRGFYVNXKGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-7-15(18)17(21)20-16(13-8-4-3-5-9-13)14-10-6-11-19-12-14/h3-6,8-12,15-16H,2,7,18H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide?
2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide has a molecular weight of 283.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide is sourced from PubChem (CID 119875674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).