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

C22H32N4O3 — CID 110197312

IUPAC(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C22H32N4O3/c27-19-13-20(21(28)24-17-6-2-1-3-7-17)26(15-19)18-8-11-25(12-9-18)22(29)16-5-4-10-23-14-16/h4-5,10,14,17-20,27H,1-3,6-9,11-13,15H2,(H,24,28)/t19-,20+/m1/s1
InChIKeySNSHSAKUFVCGDP-UXHICEINSA-N
MW400.52 g/mol
LogP1.57
Rot. Bonds4

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

(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 110197312) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID110197312
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C22H32N4O3/c27-19-13-20(21(28)24-17-6-2-1-3-7-17)26(15-19)18-8-11-25(12-9-18)22(29)16-5-4-10-23-14-16/h4-5,10,14,17-20,27H,1-3,6-9,11-13,15H2,(H,24,28)/t19-,20+/m1/s1
InChIKeySNSHSAKUFVCGDP-UXHICEINSA-N
XLogP1.57
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.57
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-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 110197312) is (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is O=C(NC1CCCCC1)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is SNSHSAKUFVCGDP-UXHICEINSA-N. The full InChI is InChI=1S/C22H32N4O3/c27-19-13-20(21(28)24-17-6-2-1-3-7-17)26(15-19)18-8-11-25(12-9-18)22(29)16-5-4-10-23-14-16/h4-5,10,14,17-20,27H,1-3,6-9,11-13,15H2,(H,24,28)/t19-,20+/m1/s1.
What are the key properties of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 1.57, 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-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110197312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).