2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide

C20H19N3O — CID 47849269

IUPAC2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccn1)N1CCCC1c1cccc2ccccc12
InChIInChI=1S/C20H19N3O/c24-20(22-19-12-3-4-13-21-19)23-14-6-11-18(23)17-10-5-8-15-7-1-2-9-16(15)17/h1-5,7-10,12-13,18H,6,11,14H2,(H,21,22,24)
InChIKeyDJTUWNXLDUHIQD-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.60
Rot. Bonds2

About 2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide

2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide (PubChem CID 47849269) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide
PubChem CID47849269
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccn1)N1CCCC1c1cccc2ccccc12
InChIInChI=1S/C20H19N3O/c24-20(22-19-12-3-4-13-21-19)23-14-6-11-18(23)17-10-5-8-15-7-1-2-9-16(15)17/h1-5,7-10,12-13,18H,6,11,14H2,(H,21,22,24)
InChIKeyDJTUWNXLDUHIQD-UHFFFAOYSA-N
XLogP4.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yl-N-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 91300262
(2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide
CID 97196920
4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 122021478
[(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95587901
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide
CID 97158690
6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 154835826
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
2-naphthalen-1-yl-N-pyridin-2-ylacetamide;hydrochloride
CID 163331171
1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one
CID 56819311
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874700

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide (CID 47849269) is 2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide is O=C(Nc1ccccn1)N1CCCC1c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide?
The InChIKey is DJTUWNXLDUHIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(22-19-12-3-4-13-21-19)23-14-6-11-18(23)17-10-5-8-15-7-1-2-9-16(15)17/h1-5,7-10,12-13,18H,6,11,14H2,(H,21,22,24).
What are the key properties of 2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide?
2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 47849269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).