N-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide

C23H36N4O2 — CID 58747959

IUPACN-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide
SMILESCC(C)N1CCC(OC2CCN(c3ccc(C(=O)NC4CCC4)nc3)CC2)CC1
InChIInChI=1S/C23H36N4O2/c1-17(2)26-12-8-20(9-13-26)29-21-10-14-27(15-11-21)19-6-7-22(24-16-19)23(28)25-18-4-3-5-18/h6-7,16-18,20-21H,3-5,8-15H2,1-2H3,(H,25,28)
InChIKeyUXYSVECFZJVXGI-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.22
Rot. Bonds6

About N-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide

N-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide (PubChem CID 58747959) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide
PubChem CID58747959
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC NameN-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide
SMILESCC(C)N1CCC(OC2CCN(c3ccc(C(=O)NC4CCC4)nc3)CC2)CC1
InChIInChI=1S/C23H36N4O2/c1-17(2)26-12-8-20(9-13-26)29-21-10-14-27(15-11-21)19-6-7-22(24-16-19)23(28)25-18-4-3-5-18/h6-7,16-18,20-21H,3-5,8-15H2,1-2H3,(H,25,28)
InChIKeyUXYSVECFZJVXGI-UHFFFAOYSA-N
XLogP3.22
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide (CID 58747959) is N-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide is CC(C)N1CCC(OC2CCN(c3ccc(C(=O)NC4CCC4)nc3)CC2)CC1.
What is the InChIKey of N-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is UXYSVECFZJVXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-17(2)26-12-8-20(9-13-26)29-21-10-14-27(15-11-21)19-6-7-22(24-16-19)23(28)25-18-4-3-5-18/h6-7,16-18,20-21H,3-5,8-15H2,1-2H3,(H,25,28).
What are the key properties of N-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide?
N-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58747959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).