N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide

C21H27N3O2 — CID 146081354

IUPACN-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESCC1CC(c2cccnc2)N(C(=O)NC(CCCO)c2ccccc2)C1
InChIInChI=1S/C21H27N3O2/c1-16-13-20(18-9-5-11-22-14-18)24(15-16)21(26)23-19(10-6-12-25)17-7-3-2-4-8-17/h2-5,7-9,11,14,16,19-20,25H,6,10,12-13,15H2,1H3,(H,23,26)
InChIKeyDHHCVPGWTOXFRZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.69
Rot. Bonds6

About N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide

N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide (PubChem CID 146081354) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide
PubChem CID146081354
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESCC1CC(c2cccnc2)N(C(=O)NC(CCCO)c2ccccc2)C1
InChIInChI=1S/C21H27N3O2/c1-16-13-20(18-9-5-11-22-14-18)24(15-16)21(26)23-19(10-6-12-25)17-7-3-2-4-8-17/h2-5,7-9,11,14,16,19-20,25H,6,10,12-13,15H2,1H3,(H,23,26)
InChIKeyDHHCVPGWTOXFRZ-UHFFFAOYSA-N
XLogP3.69
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122028137
N-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 111456100
4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide
CID 154743413
2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122025640
1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea
CID 111456098
(2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide
CID 97215879
4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol
CID 111467264
3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide
CID 75393333
3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide
CID 111456099
(2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 124874171
3-(2,4-dimethylphenoxy)-1-[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one
CID 99783146
N-(1-phenylheptyl)pyridine-3-carboxamide
CID 54544628

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide (CID 146081354) is N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide is CC1CC(c2cccnc2)N(C(=O)NC(CCCO)c2ccccc2)C1.
What is the InChIKey of N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide?
The InChIKey is DHHCVPGWTOXFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-13-20(18-9-5-11-22-14-18)24(15-16)21(26)23-19(10-6-12-25)17-7-3-2-4-8-17/h2-5,7-9,11,14,16,19-20,25H,6,10,12-13,15H2,1H3,(H,23,26).
What are the key properties of N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide?
N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 146081354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).