N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide

C25H33N3O3 — CID 142650656

IUPACN-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCCN(C(=O)Cc2cccc(-c3ccccn3)c2)CC1O
InChIInChI=1S/C25H33N3O3/c1-18(2)11-12-24(30)27-22-10-6-14-28(17-23(22)29)25(31)16-19-7-5-8-20(15-19)21-9-3-4-13-26-21/h3-5,7-9,13,15,18,22-23,29H,6,10-12,14,16-17H2,1-2H3,(H,27,30)
InChIKeyYJLYPOSDLHNMGR-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.20
Rot. Bonds7

About N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide

N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide (PubChem CID 142650656) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide
PubChem CID142650656
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCCN(C(=O)Cc2cccc(-c3ccccn3)c2)CC1O
InChIInChI=1S/C25H33N3O3/c1-18(2)11-12-24(30)27-22-10-6-14-28(17-23(22)29)25(31)16-19-7-5-8-20(15-19)21-9-3-4-13-26-21/h3-5,7-9,13,15,18,22-23,29H,6,10-12,14,16-17H2,1-2H3,(H,27,30)
InChIKeyYJLYPOSDLHNMGR-UHFFFAOYSA-N
XLogP3.20
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide 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

[(3S)-5-[[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-4-yl]amino]-3-methyl-5-oxopentyl]carbamic acid
CID 69309720
1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809803
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid
CID 146137457
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809769
3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide
CID 128968811
1-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809337
N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide
CID 70196813
(3aR,5R,6S,7aS)-2-[(3-pyridin-2-ylphenyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 56882860
1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809333
2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 46965540
1-[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95809371

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide?
The IUPAC name of N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide (CID 142650656) is N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide.
What is the SMILES notation for N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide?
The canonical SMILES for N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide is CC(C)CCC(=O)NC1CCCN(C(=O)Cc2cccc(-c3ccccn3)c2)CC1O.
What is the InChIKey of N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide?
The InChIKey is YJLYPOSDLHNMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-18(2)11-12-24(30)27-22-10-6-14-28(17-23(22)29)25(31)16-19-7-5-8-20(15-19)21-9-3-4-13-26-21/h3-5,7-9,13,15,18,22-23,29H,6,10-12,14,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide?
N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide has a molecular weight of 423.56 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide is sourced from PubChem (CID 142650656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).