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

C20H25N3O2 — CID 111456100

IUPACN-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NC(CCCO)c1ccccc1)N1CCCC1c1ccncc1
InChIInChI=1S/C20H25N3O2/c24-15-5-8-18(16-6-2-1-3-7-16)22-20(25)23-14-4-9-19(23)17-10-12-21-13-11-17/h1-3,6-7,10-13,18-19,24H,4-5,8-9,14-15H2,(H,22,25)
InChIKeySQQNHBYAHQCYOU-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.44
Rot. Bonds6

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

N-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 111456100) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID111456100
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NC(CCCO)c1ccccc1)N1CCCC1c1ccncc1
InChIInChI=1S/C20H25N3O2/c24-15-5-8-18(16-6-2-1-3-7-16)22-20(25)23-14-4-9-19(23)17-10-12-21-13-11-17/h1-3,6-7,10-13,18-19,24H,4-5,8-9,14-15H2,(H,22,25)
InChIKeySQQNHBYAHQCYOU-UHFFFAOYSA-N
XLogP3.44
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 78892187
(2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide
CID 97215879
N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide
CID 146081354
3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide
CID 111456099
(2R)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94031024
N-(2-phenylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 86987177
(2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94156095
N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87006691
2-chloro-N-[3-oxo-1-phenyl-3-(2-pyridin-4-ylazepan-1-yl)propyl]benzamide
CID 55764536
2-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 132968644
(2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94801401
4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide
CID 154743413

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 111456100) is N-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is O=C(NC(CCCO)c1ccccc1)N1CCCC1c1ccncc1.
What is the InChIKey of N-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is SQQNHBYAHQCYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-15-5-8-18(16-6-2-1-3-7-16)22-20(25)23-14-4-9-19(23)17-10-12-21-13-11-17/h1-3,6-7,10-13,18-19,24H,4-5,8-9,14-15H2,(H,22,25).
What are the key properties of N-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.44, 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)-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 111456100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).