N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide

C14H18F2N2O — CID 105381302

IUPACN-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide
SMILESCC1CCC(NC(=O)c2ccnc(F)c2F)CC1C
InChIInChI=1S/C14H18F2N2O/c1-8-3-4-10(7-9(8)2)18-14(19)11-5-6-17-13(16)12(11)15/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyHKZBWJBJFLZHJN-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.91
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide

N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 105381302) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID105381302
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide
SMILESCC1CCC(NC(=O)c2ccnc(F)c2F)CC1C
InChIInChI=1S/C14H18F2N2O/c1-8-3-4-10(7-9(8)2)18-14(19)11-5-6-17-13(16)12(11)15/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyHKZBWJBJFLZHJN-UHFFFAOYSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 105380359
N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide
CID 105380733
N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide
CID 105381670
(3,4-dimethylcyclohexyl) 2,3-difluoropyridine-4-carboxylate
CID 105391848
2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 105380732
2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide
CID 64741558
4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide
CID 81233008
N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide
CID 107031002
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide
CID 104578735
3-fluoro-2-hydrazinyl-N-(3-methylcyclobutyl)pyridine-4-carboxamide
CID 105388602

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide (CID 105381302) is N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide is CC1CCC(NC(=O)c2ccnc(F)c2F)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is HKZBWJBJFLZHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-8-3-4-10(7-9(8)2)18-14(19)11-5-6-17-13(16)12(11)15/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide?
N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105381302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).