N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide

C18H28N4O2 — CID 72938382

IUPACN-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)CN(C)Cc2ccncc2)C[C@H]1NC(C)=O
InChIInChI=1S/C18H28N4O2/c1-4-5-16-11-22(12-17(16)20-14(2)23)18(24)13-21(3)10-15-6-8-19-9-7-15/h6-9,16-17H,4-5,10-13H2,1-3H3,(H,20,23)/t16-,17-/m1/s1
InChIKeyYVNVZKQSYCBYJC-IAGOWNOFSA-N
MW332.45 g/mol
LogP1.28
Rot. Bonds7

About N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 72938382) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide
PubChem CID72938382
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)CN(C)Cc2ccncc2)C[C@H]1NC(C)=O
InChIInChI=1S/C18H28N4O2/c1-4-5-16-11-22(12-17(16)20-14(2)23)18(24)13-21(3)10-15-6-8-19-9-7-15/h6-9,16-17H,4-5,10-13H2,1-3H3,(H,20,23)/t16-,17-/m1/s1
InChIKeyYVNVZKQSYCBYJC-IAGOWNOFSA-N
XLogP1.28
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide 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

N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide
CID 156606543
1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 137340836
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 86286733
1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 138386665
N-[(3S,4R)-1-[2-(3-chloro-4-fluorophenyl)acetyl]-4-propylpyrrolidin-3-yl]acetamide
CID 70736517
1-[(3S,3aS,6aR)-3-(dimethylamino)-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 154820103
4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135898022
1-[(3aS,5R,6R,7aR)-5-(benzimidazol-1-yl)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 172671156
(3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine
CID 72928174
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 120749378
N-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide
CID 72849791

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide (CID 72938382) is N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(C(=O)CN(C)Cc2ccncc2)C[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is YVNVZKQSYCBYJC-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-5-16-11-22(12-17(16)20-14(2)23)18(24)13-21(3)10-15-6-8-19-9-7-15/h6-9,16-17H,4-5,10-13H2,1-3H3,(H,20,23)/t16-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72938382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).