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

C14H20N2O3 — CID 103718256

IUPACN-[(2-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCCCC2O)c[nH]1
InChIInChI=1S/C14H20N2O3/c1-9-6-13(18)11(8-15-9)14(19)16-7-10-4-2-3-5-12(10)17/h6,8,10,12,17H,2-5,7H2,1H3,(H,15,18)(H,16,19)
InChIKeyTXJDWDYLGPFDIZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.96
Rot. Bonds3

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

N-[(2-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103718256) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103718256
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCCCC2O)c[nH]1
InChIInChI=1S/C14H20N2O3/c1-9-6-13(18)11(8-15-9)14(19)16-7-10-4-2-3-5-12(10)17/h6,8,10,12,17H,2-5,7H2,1H3,(H,15,18)(H,16,19)
InChIKeyTXJDWDYLGPFDIZ-UHFFFAOYSA-N
XLogP0.96
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.96
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]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103718256) is N-[(2-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC2CCCCC2O)c[nH]1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is TXJDWDYLGPFDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-6-13(18)11(8-15-9)14(19)16-7-10-4-2-3-5-12(10)17/h6,8,10,12,17H,2-5,7H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.96, 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]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103718256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).