N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide

C17H27N3O — CID 83273250

IUPACN-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
SMILESCCC(CC)NC(=O)CCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C17H27N3O/c1-3-15(4-2)19-17(21)8-7-14-9-10-18-16(13-14)20-11-5-6-12-20/h9-10,13,15H,3-8,11-12H2,1-2H3,(H,19,21)
InChIKeyMLZKGHQVQVQCEQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.92
Rot. Bonds7

About N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide

N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide (PubChem CID 83273250) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide.

Molecular Properties

Compound NameN-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
PubChem CID83273250
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
SMILESCCC(CC)NC(=O)CCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C17H27N3O/c1-3-15(4-2)19-17(21)8-7-14-9-10-18-16(13-14)20-11-5-6-12-20/h9-10,13,15H,3-8,11-12H2,1-2H3,(H,19,21)
InChIKeyMLZKGHQVQVQCEQ-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide 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

6-((2-((2-((2S)-2-Cyano-1-pyrrolidinyl)-2-oxoethyl)amino)ethyl)amino)-3-pyridinecarbonitrile
CID 9796290
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
CID 11149707
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
Org-13011
CID 9907401
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
6-((3S,5S)-5-((S)-2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-ylamino)nicotinonitrile
CID 44400445
1-[4-[2-(3,3-Difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-4-yl]piperidin-1-yl]ethanone
CID 90067588
N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 146637370
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213
(2S,5R)-5-ethynyl-1-(N-(4-methyl-1-(5-cyano-pyridin-2-yl)piperidin-4-yl)glycyl)pyrrolidine-2-carbonitrile
CID 16090844
(2S)-1-[(2R)-2-amino-3,3-dicyclohexylpropanoyl]-N-[(6-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 9868633

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide?
The IUPAC name of N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide (CID 83273250) is N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide.
What is the SMILES notation for N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide?
The canonical SMILES for N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide is CCC(CC)NC(=O)CCc1ccnc(N2CCCC2)c1.
What is the InChIKey of N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide?
The InChIKey is MLZKGHQVQVQCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-15(4-2)19-17(21)8-7-14-9-10-18-16(13-14)20-11-5-6-12-20/h9-10,13,15H,3-8,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide?
N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide is sourced from PubChem (CID 83273250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).