N-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide

C13H18N2O2 — CID 10037013

IUPACN-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide
SMILESCn1cc(C2(NC=O)CCCCC2)ccc1=O
InChIInChI=1S/C13H18N2O2/c1-15-9-11(5-6-12(15)17)13(14-10-16)7-3-2-4-8-13/h5-6,9-10H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyPEPUIWMPUAORPB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.29
Rot. Bonds3

About N-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide

N-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide (PubChem CID 10037013) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide.

Molecular Properties

Compound NameN-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide
PubChem CID10037013
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide
SMILESCn1cc(C2(NC=O)CCCCC2)ccc1=O
InChIInChI=1S/C13H18N2O2/c1-15-9-11(5-6-12(15)17)13(14-10-16)7-3-2-4-8-13/h5-6,9-10H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyPEPUIWMPUAORPB-UHFFFAOYSA-N
XLogP1.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide?
The IUPAC name of N-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide (CID 10037013) is N-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide.
What is the SMILES notation for N-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide?
The canonical SMILES for N-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide is Cn1cc(C2(NC=O)CCCCC2)ccc1=O.
What is the InChIKey of N-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide?
The InChIKey is PEPUIWMPUAORPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15-9-11(5-6-12(15)17)13(14-10-16)7-3-2-4-8-13/h5-6,9-10H,2-4,7-8H2,1H3,(H,14,16).
What are the key properties of N-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide?
N-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide has a molecular weight of 234.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]formamide is sourced from PubChem (CID 10037013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).