3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide

C15H16N2O2 — CID 62918134

IUPAC3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCC(O)C1
InChIInChI=1S/C15H16N2O2/c18-12-8-9-17(10-12)15(19)16-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,18H,8-10H2,(H,16,19)
InChIKeyOKORQMJHKYLYQG-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.44
Rot. Bonds1

About 3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide

3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide (PubChem CID 62918134) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
PubChem CID62918134
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCC(O)C1
InChIInChI=1S/C15H16N2O2/c18-12-8-9-17(10-12)15(19)16-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,18H,8-10H2,(H,16,19)
InChIKeyOKORQMJHKYLYQG-UHFFFAOYSA-N
XLogP2.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 114802238
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111332577
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate
CID 97284758
(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 757117
4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 51128290
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
CID 23140557
4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 111383892

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide (CID 62918134) is 3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide is O=C(Nc1cccc2ccccc12)N1CCC(O)C1.
What is the InChIKey of 3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The InChIKey is OKORQMJHKYLYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-12-8-9-17(10-12)15(19)16-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,18H,8-10H2,(H,16,19).
What are the key properties of 3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 62918134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).