N,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide

C14H18N2O2 — CID 146640883

IUPACN,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(C2CCC(=O)CC2)ccn1
InChIInChI=1S/C14H18N2O2/c1-16(2)14(18)13-9-11(7-8-15-13)10-3-5-12(17)6-4-10/h7-10H,3-6H2,1-2H3
InChIKeyFYYYBTGDOGWZTM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.01
Rot. Bonds2

About N,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide

N,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide (PubChem CID 146640883) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide
PubChem CID146640883
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(C2CCC(=O)CC2)ccn1
InChIInChI=1S/C14H18N2O2/c1-16(2)14(18)13-9-11(7-8-15-13)10-3-5-12(17)6-4-10/h7-10H,3-6H2,1-2H3
InChIKeyFYYYBTGDOGWZTM-UHFFFAOYSA-N
XLogP2.01
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide (CID 146640883) is N,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide is CN(C)C(=O)c1cc(C2CCC(=O)CC2)ccn1.
What is the InChIKey of N,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide?
The InChIKey is FYYYBTGDOGWZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16(2)14(18)13-9-11(7-8-15-13)10-3-5-12(17)6-4-10/h7-10H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide?
N,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-oxocyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 146640883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).