(2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C21H27N5O4 — CID 155881208

IUPAC(2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1nocc1C(=O)N1CCC(N2C[C@H](O)C[C@H]2C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C21H27N5O4/c1-14-18(13-30-24-14)21(29)25-7-4-16(5-8-25)26-12-17(27)9-19(26)20(28)23-11-15-3-2-6-22-10-15/h2-3,6,10,13,16-17,19,27H,4-5,7-9,11-12H2,1H3,(H,23,28)/t17-,19+/m1/s1
InChIKeyLSMUETYTCFATTA-MJGOQNOKSA-N
MW413.48 g/mol
LogP0.73
Rot. Bonds5

About (2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 155881208) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID155881208
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Name(2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1nocc1C(=O)N1CCC(N2C[C@H](O)C[C@H]2C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C21H27N5O4/c1-14-18(13-30-24-14)21(29)25-7-4-16(5-8-25)26-12-17(27)9-19(26)20(28)23-11-15-3-2-6-22-10-15/h2-3,6,10,13,16-17,19,27H,4-5,7-9,11-12H2,1H3,(H,23,28)/t17-,19+/m1/s1
InChIKeyLSMUETYTCFATTA-MJGOQNOKSA-N
XLogP0.73
TPSA111.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 155881066
(2S,4R)-1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 155881432
(2S,4R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 155880932
(2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 110197414
(2S,4R)-1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 155881009
1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55930537
(2S,4R)-1-(1-butanoylpiperidin-4-yl)-4-hydroxy-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 110197258
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 155881522
1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70721657
(2S,4R)-1-(1-benzylpiperidin-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 163337313
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 155881208) is (2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is Cc1nocc1C(=O)N1CCC(N2C[C@H](O)C[C@H]2C(=O)NCc2cccnc2)CC1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is LSMUETYTCFATTA-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-14-18(13-30-24-14)21(29)25-7-4-16(5-8-25)26-12-17(27)9-19(26)20(28)23-11-15-3-2-6-22-10-15/h2-3,6,10,13,16-17,19,27H,4-5,7-9,11-12H2,1H3,(H,23,28)/t17-,19+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-[1-(3-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 155881208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).