N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide

C20H25N3O — CID 91761816

IUPACN-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide
SMILESCCC(NC(=O)c1ccc(N2CCCC2)cc1)c1ncccc1C
InChIInChI=1S/C20H25N3O/c1-3-18(19-15(2)7-6-12-21-19)22-20(24)16-8-10-17(11-9-16)23-13-4-5-14-23/h6-12,18H,3-5,13-14H2,1-2H3,(H,22,24)
InChIKeyOKYYLFYUULRFKV-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.87
Rot. Bonds5

About N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide

N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 91761816) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID91761816
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide
SMILESCCC(NC(=O)c1ccc(N2CCCC2)cc1)c1ncccc1C
InChIInChI=1S/C20H25N3O/c1-3-18(19-15(2)7-6-12-21-19)22-20(24)16-8-10-17(11-9-16)23-13-4-5-14-23/h6-12,18H,3-5,13-14H2,1-2H3,(H,22,24)
InChIKeyOKYYLFYUULRFKV-UHFFFAOYSA-N
XLogP3.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide 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-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide
CID 99972095
2-ethyl-4-methyl-N-[1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide
CID 122570843
2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide
CID 125447047
3-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 118768572
2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide
CID 91765215
1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide
CID 118773094
N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 94018845
4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide
CID 125446765
N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
CID 93487464
3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 126441957
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 133161272

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide (CID 91761816) is N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide is CCC(NC(=O)c1ccc(N2CCCC2)cc1)c1ncccc1C.
What is the InChIKey of N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is OKYYLFYUULRFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-18(19-15(2)7-6-12-21-19)22-20(24)16-8-10-17(11-9-16)23-13-4-5-14-23/h6-12,18H,3-5,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide?
N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 323.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 91761816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).