(2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide

C22H28N4O — CID 97278774

IUPAC(2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1CN1CCCCC1)N1CCC[C@H]1c1ccccn1
InChIInChI=1S/C22H28N4O/c27-22(26-16-8-12-21(26)20-11-4-5-13-23-20)24-19-10-3-2-9-18(19)17-25-14-6-1-7-15-25/h2-5,9-11,13,21H,1,6-8,12,14-17H2,(H,24,27)/t21-/m0/s1
InChIKeyOQIQRIPLGDLIER-NRFANRHFSA-N
MW364.49 g/mol
LogP4.44
Rot. Bonds4

About (2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide

(2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide (PubChem CID 97278774) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
PubChem CID97278774
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name(2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1CN1CCCCC1)N1CCC[C@H]1c1ccccn1
InChIInChI=1S/C22H28N4O/c27-22(26-16-8-12-21(26)20-11-4-5-13-23-20)24-19-10-3-2-9-18(19)17-25-14-6-1-7-15-25/h2-5,9-11,13,21H,1,6-8,12,14-17H2,(H,24,27)/t21-/m0/s1
InChIKeyOQIQRIPLGDLIER-NRFANRHFSA-N
XLogP4.44
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874700
N-propyl-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47386252
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 94810217
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide
CID 72920810
N-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole-1-carboxamide
CID 81257336
(2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
CID 97278092
2-[3-(2-pyridin-2-ylpiperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 131908358
1-[2-oxo-2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]piperidine-4-carboxamide
CID 97120709
(2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 126442149
2-cyclopentyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 71896430
1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea
CID 72899411

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide (CID 97278774) is (2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide is O=C(Nc1ccccc1CN1CCCCC1)N1CCC[C@H]1c1ccccn1.
What is the InChIKey of (2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide?
The InChIKey is OQIQRIPLGDLIER-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(26-16-8-12-21(26)20-11-4-5-13-23-20)24-19-10-3-2-9-18(19)17-25-14-6-1-7-15-25/h2-5,9-11,13,21H,1,6-8,12,14-17H2,(H,24,27)/t21-/m0/s1.
What are the key properties of (2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide?
(2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97278774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).