N-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide

C13H18N2O3 — CID 43417253

IUPACN-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2CCC(O)CC2)cc1=O
InChIInChI=1S/C13H18N2O3/c1-15-7-6-9(8-12(15)17)13(18)14-10-2-4-11(16)5-3-10/h6-8,10-11,16H,2-5H2,1H3,(H,14,18)
InChIKeyWPBPYQRGTCBAMI-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.42
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide

N-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 43417253) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID43417253
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2CCC(O)CC2)cc1=O
InChIInChI=1S/C13H18N2O3/c1-15-7-6-9(8-12(15)17)13(18)14-10-2-4-11(16)5-3-10/h6-8,10-11,16H,2-5H2,1H3,(H,14,18)
InChIKeyWPBPYQRGTCBAMI-UHFFFAOYSA-N
XLogP0.42
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide (CID 43417253) is N-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NC2CCC(O)CC2)cc1=O.
What is the InChIKey of N-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is WPBPYQRGTCBAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15-7-6-9(8-12(15)17)13(18)14-10-2-4-11(16)5-3-10/h6-8,10-11,16H,2-5H2,1H3,(H,14,18).
What are the key properties of N-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 43417253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).