N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide

C25H26N2O3 — CID 91815403

IUPACN-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(OCC2CCOCC2)nc1
InChIInChI=1S/C25H26N2O3/c28-25(22-11-12-23(26-17-22)30-18-19-13-15-29-16-14-19)27-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17,19,24H,13-16,18H2,(H,27,28)
InChIKeyWNVFRIIEBZEFHW-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.41
Rot. Bonds7

About N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide

N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide (PubChem CID 91815403) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
PubChem CID91815403
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(OCC2CCOCC2)nc1
InChIInChI=1S/C25H26N2O3/c28-25(22-11-12-23(26-17-22)30-18-19-13-15-29-16-14-19)27-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17,19,24H,13-16,18H2,(H,27,28)
InChIKeyWNVFRIIEBZEFHW-UHFFFAOYSA-N
XLogP4.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide?
The IUPAC name of N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide (CID 91815403) is N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)c1ccc(OCC2CCOCC2)nc1.
What is the InChIKey of N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide?
The InChIKey is WNVFRIIEBZEFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-25(22-11-12-23(26-17-22)30-18-19-13-15-29-16-14-19)27-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17,19,24H,13-16,18H2,(H,27,28).
What are the key properties of N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide?
N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 91815403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).