(2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide

C23H36N4O3 — CID 163336060

IUPAC(2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
SMILESCN(CCc1ccccn1)C(=O)[C@@H]1C[C@@H](O)CN1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C23H36N4O3/c1-25(11-5-18-4-2-3-10-24-18)23(29)22-16-21(28)17-27(22)20-6-12-26(13-7-20)19-8-14-30-15-9-19/h2-4,10,19-22,28H,5-9,11-17H2,1H3/t21-,22+/m1/s1
InChIKeyYSVZYLCZZPEEDK-YADHBBJMSA-N
MW416.57 g/mol
LogP1.16
Rot. Bonds6

About (2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 163336060) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
PubChem CID163336060
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name(2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
SMILESCN(CCc1ccccn1)C(=O)[C@@H]1C[C@@H](O)CN1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C23H36N4O3/c1-25(11-5-18-4-2-3-10-24-18)23(29)22-16-21(28)17-27(22)20-6-12-26(13-7-20)19-8-14-30-15-9-19/h2-4,10,19-22,28H,5-9,11-17H2,1H3/t21-,22+/m1/s1
InChIKeyYSVZYLCZZPEEDK-YADHBBJMSA-N
XLogP1.16
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 171154222
(2S,4R)-N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 155880491
N-methyl-4-(methylamino)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 66267541
1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
CID 118760765
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102781714
[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 118771316
N-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 86769762
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 72874926
5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426726
(3S,5R)-1-(oxan-4-yl)-5-(pyridin-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 56897235
N-methyl-2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 133135621

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide (CID 163336060) is (2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide is CN(CCc1ccccn1)C(=O)[C@@H]1C[C@@H](O)CN1C1CCN(C2CCOCC2)CC1.
What is the InChIKey of (2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is YSVZYLCZZPEEDK-YADHBBJMSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-25(11-5-18-4-2-3-10-24-18)23(29)22-16-21(28)17-27(22)20-6-12-26(13-7-20)19-8-14-30-15-9-19/h2-4,10,19-22,28H,5-9,11-17H2,1H3/t21-,22+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 163336060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).