(2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C23H29N5O4 — CID 110197414

IUPAC(2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(N3C[C@H](O)C[C@H]3C(=O)NCc3cccnc3)CC2)cn1
InChIInChI=1S/C23H29N5O4/c1-32-21-5-4-17(14-25-21)23(31)27-9-6-18(7-10-27)28-15-19(29)11-20(28)22(30)26-13-16-3-2-8-24-12-16/h2-5,8,12,14,18-20,29H,6-7,9-11,13,15H2,1H3,(H,26,30)/t19-,20+/m1/s1
InChIKeyWWQUORHHUGKCOF-UXHICEINSA-N
MW439.52 g/mol
LogP0.84
Rot. Bonds6

About (2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 110197414) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID110197414
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name(2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(N3C[C@H](O)C[C@H]3C(=O)NCc3cccnc3)CC2)cn1
InChIInChI=1S/C23H29N5O4/c1-32-21-5-4-17(14-25-21)23(31)27-9-6-18(7-10-27)28-15-19(29)11-20(28)22(30)26-13-16-3-2-8-24-12-16/h2-5,8,12,14,18-20,29H,6-7,9-11,13,15H2,1H3,(H,26,30)/t19-,20+/m1/s1
InChIKeyWWQUORHHUGKCOF-UXHICEINSA-N
XLogP0.84
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(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-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 155881066
(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
(2S,4R)-1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 155881009
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
(2S,4R)-1-(1-butanoylpiperidin-4-yl)-4-hydroxy-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 110197258
1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70721657
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
N-(pyridin-3-ylmethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295099
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 110197414) is (2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is COc1ccc(C(=O)N2CCC(N3C[C@H](O)C[C@H]3C(=O)NCc3cccnc3)CC2)cn1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is WWQUORHHUGKCOF-UXHICEINSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-32-21-5-4-17(14-25-21)23(31)27-9-6-18(7-10-27)28-15-19(29)11-20(28)22(30)26-13-16-3-2-8-24-12-16/h2-5,8,12,14,18-20,29H,6-7,9-11,13,15H2,1H3,(H,26,30)/t19-,20+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-1-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 0.84, 6 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-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110197414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).