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

C23H34N4O3 — CID 110197293

IUPAC(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(N3C[C@H](O)C[C@H]3C(=O)NC3CCCCC3)CC2)cn1
InChIInChI=1S/C23H34N4O3/c1-16-7-8-17(14-24-16)23(30)26-11-9-19(10-12-26)27-15-20(28)13-21(27)22(29)25-18-5-3-2-4-6-18/h7-8,14,18-21,28H,2-6,9-13,15H2,1H3,(H,25,29)/t20-,21+/m1/s1
InChIKeyQWROFPYNFLLZFI-RTWAWAEBSA-N
MW414.55 g/mol
LogP1.88
Rot. Bonds4

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

(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 110197293) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID110197293
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(N3C[C@H](O)C[C@H]3C(=O)NC3CCCCC3)CC2)cn1
InChIInChI=1S/C23H34N4O3/c1-16-7-8-17(14-24-16)23(30)26-11-9-19(10-12-26)27-15-20(28)13-21(27)22(29)25-18-5-3-2-4-6-18/h7-8,14,18-21,28H,2-6,9-13,15H2,1H3,(H,25,29)/t20-,21+/m1/s1
InChIKeyQWROFPYNFLLZFI-RTWAWAEBSA-N
XLogP1.88
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 110197293) is (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is Cc1ccc(C(=O)N2CCC(N3C[C@H](O)C[C@H]3C(=O)NC3CCCCC3)CC2)cn1.
What is the InChIKey of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is QWROFPYNFLLZFI-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-16-7-8-17(14-24-16)23(30)26-11-9-19(10-12-26)27-15-20(28)13-21(27)22(29)25-18-5-3-2-4-6-18/h7-8,14,18-21,28H,2-6,9-13,15H2,1H3,(H,25,29)/t20-,21+/m1/s1.
What are the key properties of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110197293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).