(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide

C21H21N3O — CID 929734

IUPAC(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCCC[C@@H]1c1ccncc1
InChIInChI=1S/C21H21N3O/c25-21(23-19-9-5-7-16-6-1-2-8-18(16)19)24-15-4-3-10-20(24)17-11-13-22-14-12-17/h1-2,5-9,11-14,20H,3-4,10,15H2,(H,23,25)/t20-/m1/s1
InChIKeyOTNPKGYHPMECIM-HXUWFJFHSA-N
MW331.42 g/mol
LogP4.99
Rot. Bonds2

About (2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide

(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide (PubChem CID 929734) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
PubChem CID929734
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCCC[C@@H]1c1ccncc1
InChIInChI=1S/C21H21N3O/c25-21(23-19-9-5-7-16-6-1-2-8-18(16)19)24-15-4-3-10-20(24)17-11-13-22-14-12-17/h1-2,5-9,11-14,20H,3-4,10,15H2,(H,23,25)/t20-/m1/s1
InChIKeyOTNPKGYHPMECIM-HXUWFJFHSA-N
XLogP4.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 86987177
(2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94156095
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51118900
2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide
CID 47049591
2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4097803
(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94170252
(2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 97063433
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 7295387
(2S)-N-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078516
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 41013165
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 42761005

Frequently Asked Questions

What is the IUPAC name of (2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide?
The IUPAC name of (2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide (CID 929734) is (2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for (2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide is O=C(Nc1cccc2ccccc12)N1CCCC[C@@H]1c1ccncc1.
What is the InChIKey of (2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide?
The InChIKey is OTNPKGYHPMECIM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(23-19-9-5-7-16-6-1-2-8-18(16)19)24-15-4-3-10-20(24)17-11-13-22-14-12-17/h1-2,5-9,11-14,20H,3-4,10,15H2,(H,23,25)/t20-/m1/s1.
What are the key properties of (2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide?
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 929734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).