N-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C15H22N2O3 — CID 64929694

IUPACN-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC2CCCCC2O)c(=O)[nH]1
InChIInChI=1S/C15H22N2O3/c1-9-7-10(2)17-15(20)13(9)14(19)16-8-11-5-3-4-6-12(11)18/h7,11-12,18H,3-6,8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyPDKASNJTUFOHOP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.27
Rot. Bonds3

About N-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 64929694) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID64929694
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC2CCCCC2O)c(=O)[nH]1
InChIInChI=1S/C15H22N2O3/c1-9-7-10(2)17-15(20)13(9)14(19)16-8-11-5-3-4-6-12(11)18/h7,11-12,18H,3-6,8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyPDKASNJTUFOHOP-UHFFFAOYSA-N
XLogP1.27
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 64929694) is N-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCC2CCCCC2O)c(=O)[nH]1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PDKASNJTUFOHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-7-10(2)17-15(20)13(9)14(19)16-8-11-5-3-4-6-12(11)18/h7,11-12,18H,3-6,8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 64929694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).