(2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide

C20H24N4O2 — CID 52510173

IUPAC(2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccnc1N1CCCC1)N1CCC[C@H]1c1ccc(O)cc1
InChIInChI=1S/C20H24N4O2/c25-16-9-7-15(8-10-16)18-6-4-14-24(18)20(26)22-17-5-3-11-21-19(17)23-12-1-2-13-23/h3,5,7-11,18,25H,1-2,4,6,12-14H2,(H,22,26)/t18-/m0/s1
InChIKeyHICAOPNUZDWLME-SFHVURJKSA-N
MW352.44 g/mol
LogP3.76
Rot. Bonds3

About (2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide

(2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 52510173) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID52510173
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccnc1N1CCCC1)N1CCC[C@H]1c1ccc(O)cc1
InChIInChI=1S/C20H24N4O2/c25-16-9-7-15(8-10-16)18-6-4-14-24(18)20(26)22-17-5-3-11-21-19(17)23-12-1-2-13-23/h3,5,7-11,18,25H,1-2,4,6,12-14H2,(H,22,26)/t18-/m0/s1
InChIKeyHICAOPNUZDWLME-SFHVURJKSA-N
XLogP3.76
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94170252
4-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 47041032
(3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide
CID 95580121
4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 75434904
N-(2-phenylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 86987177
N-(2-chloro-3-pyridinyl)-2-[(2R)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide
CID 95145263
4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60847644
(2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856141
(2R)-N-(2-methylphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076709
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 111722528
2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide
CID 136562751

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide (CID 52510173) is (2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide is O=C(Nc1cccnc1N1CCCC1)N1CCC[C@H]1c1ccc(O)cc1.
What is the InChIKey of (2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is HICAOPNUZDWLME-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-16-9-7-15(8-10-16)18-6-4-14-24(18)20(26)22-17-5-3-11-21-19(17)23-12-1-2-13-23/h3,5,7-11,18,25H,1-2,4,6,12-14H2,(H,22,26)/t18-/m0/s1.
What are the key properties of (2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide?
(2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 52510173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).