6-cyclohexyl-2-methylpyridine-3-carboxamide

C13H18N2O — CID 68934138

IUPAC6-cyclohexyl-2-methylpyridine-3-carboxamide
SMILESCc1nc(C2CCCCC2)ccc1C(N)=O
InChIInChI=1S/C13H18N2O/c1-9-11(13(14)16)7-8-12(15-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H2,14,16)
InChIKeyNKVJPXBQFFCFTH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.54
Rot. Bonds2

About 6-cyclohexyl-2-methylpyridine-3-carboxamide

6-cyclohexyl-2-methylpyridine-3-carboxamide (PubChem CID 68934138) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-cyclohexyl-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclohexyl-2-methylpyridine-3-carboxamide
PubChem CID68934138
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-cyclohexyl-2-methylpyridine-3-carboxamide
SMILESCc1nc(C2CCCCC2)ccc1C(N)=O
InChIInChI=1S/C13H18N2O/c1-9-11(13(14)16)7-8-12(15-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H2,14,16)
InChIKeyNKVJPXBQFFCFTH-UHFFFAOYSA-N
XLogP2.54
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-cyclohexyl-2-methylpyridine-3-carboxamide (CID 68934138) is 6-cyclohexyl-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-cyclohexyl-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-cyclohexyl-2-methylpyridine-3-carboxamide is Cc1nc(C2CCCCC2)ccc1C(N)=O.
What is the InChIKey of 6-cyclohexyl-2-methylpyridine-3-carboxamide?
The InChIKey is NKVJPXBQFFCFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-11(13(14)16)7-8-12(15-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H2,14,16).
What are the key properties of 6-cyclohexyl-2-methylpyridine-3-carboxamide?
6-cyclohexyl-2-methylpyridine-3-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 68934138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).