5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide

C14H18N2O2 — CID 174674045

IUPAC5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(C2CCC(C=O)CC2)cc1C(N)=O
InChIInChI=1S/C14H18N2O2/c1-9-13(14(15)18)6-12(7-16-9)11-4-2-10(8-17)3-5-11/h6-8,10-11H,2-5H2,1H3,(H2,15,18)
InChIKeyZRVOFYYUJZEALD-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.96
Rot. Bonds3

About 5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide

5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide (PubChem CID 174674045) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide
PubChem CID174674045
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(C2CCC(C=O)CC2)cc1C(N)=O
InChIInChI=1S/C14H18N2O2/c1-9-13(14(15)18)6-12(7-16-9)11-4-2-10(8-17)3-5-11/h6-8,10-11H,2-5H2,1H3,(H2,15,18)
InChIKeyZRVOFYYUJZEALD-UHFFFAOYSA-N
XLogP1.96
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide
CID 174662247
5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 174745598
5-cyclobutyl-2-(methylamino)pyridine-3-carboxamide
CID 137437719
1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one
CID 139524310
3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine
CID 139524308
5-(azetidin-2-ylmethoxy)-2-methylpyridine-3-carboxamide
CID 23227130
2,2,2-trifluoroacetic acid;4-[6-(trifluoromethyl)-3-pyridinyl]cyclohexane-1-carbaldehyde
CID 175204625
5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 83918791
1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one
CID 145225076
(E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide
CID 165131519
5-amino-N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 61039080
4-(3,4,5-trifluorophenyl)cyclohexane-1-carbaldehyde
CID 19039181

Frequently Asked Questions

What is the IUPAC name of 5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide (CID 174674045) is 5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide is Cc1ncc(C2CCC(C=O)CC2)cc1C(N)=O.
What is the InChIKey of 5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide?
The InChIKey is ZRVOFYYUJZEALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-13(14(15)18)6-12(7-16-9)11-4-2-10(8-17)3-5-11/h6-8,10-11H,2-5H2,1H3,(H2,15,18).
What are the key properties of 5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide?
5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 174674045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).