N-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide

C19H22N2O3 — CID 42442441

IUPACN-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(=O)c(OCc2ccccc2)c[nH]1
InChIInChI=1S/C19H22N2O3/c22-17-11-16(19(23)21-15-9-5-2-6-10-15)20-12-18(17)24-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,20,22)(H,21,23)
InChIKeyHPJVIJUUOSGPBV-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.02
Rot. Bonds5

About N-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide

N-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide (PubChem CID 42442441) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
PubChem CID42442441
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(=O)c(OCc2ccccc2)c[nH]1
InChIInChI=1S/C19H22N2O3/c22-17-11-16(19(23)21-15-9-5-2-6-10-15)20-12-18(17)24-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,20,22)(H,21,23)
InChIKeyHPJVIJUUOSGPBV-UHFFFAOYSA-N
XLogP3.02
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide (CID 42442441) is N-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide is O=C(NC1CCCCC1)c1cc(=O)c(OCc2ccccc2)c[nH]1.
What is the InChIKey of N-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide?
The InChIKey is HPJVIJUUOSGPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-17-11-16(19(23)21-15-9-5-2-6-10-15)20-12-18(17)24-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,20,22)(H,21,23).
What are the key properties of N-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide?
N-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide is sourced from PubChem (CID 42442441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).