2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide

C19H23N3O2 — CID 174898603

IUPAC2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide
SMILESCCC(NCc1ccncc1)C(C(C)=O)C(=O)Nc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-3-17(21-13-15-9-11-20-12-10-15)18(14(2)23)19(24)22-16-7-5-4-6-8-16/h4-12,17-18,21H,3,13H2,1-2H3,(H,22,24)
InChIKeyDZPTZTCHNNVSBG-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.79
Rot. Bonds8

About 2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide

2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide (PubChem CID 174898603) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide.

Molecular Properties

Compound Name2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide
PubChem CID174898603
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide
SMILESCCC(NCc1ccncc1)C(C(C)=O)C(=O)Nc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-3-17(21-13-15-9-11-20-12-10-15)18(14(2)23)19(24)22-16-7-5-4-6-8-16/h4-12,17-18,21H,3,13H2,1-2H3,(H,22,24)
InChIKeyDZPTZTCHNNVSBG-UHFFFAOYSA-N
XLogP2.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)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-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one
CID 143524446
2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963689
2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide
CID 176781456
(2R)-2-(benzylamino)-N,2-diphenylacetamide
CID 101449959
(3S)-4-anilino-3-(benzylamino)-4-oxobutanoic acid
CID 951097
acetic acid;(2S)-3-methyl-2-(pyridin-4-ylmethylamino)butanoic acid
CID 162691317
N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide
CID 62049518
2,4-diacetyl-N,N'-diphenylpentanediamide
CID 5218868
3-amino-2-methyl-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]butanamide;dihydrochloride
CID 120503652
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide?
The IUPAC name of 2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide (CID 174898603) is 2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide.
What is the SMILES notation for 2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide?
The canonical SMILES for 2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide is CCC(NCc1ccncc1)C(C(C)=O)C(=O)Nc1ccccc1.
What is the InChIKey of 2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide?
The InChIKey is DZPTZTCHNNVSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-17(21-13-15-9-11-20-12-10-15)18(14(2)23)19(24)22-16-7-5-4-6-8-16/h4-12,17-18,21H,3,13H2,1-2H3,(H,22,24).
What are the key properties of 2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide?
2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide has a molecular weight of 325.41 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide is sourced from PubChem (CID 174898603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).