N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide

C15H20F2N2O — CID 105381145

IUPACN-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide
SMILESCCC(NC(=O)c1ccnc(F)c1F)C1CCCCC1
InChIInChI=1S/C15H20F2N2O/c1-2-12(10-6-4-3-5-7-10)19-15(20)11-8-9-18-14(17)13(11)16/h8-10,12H,2-7H2,1H3,(H,19,20)
InChIKeyNMXMHHPDFSSBIV-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.45
Rot. Bonds4

About N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide

N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 105381145) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID105381145
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide
SMILESCCC(NC(=O)c1ccnc(F)c1F)C1CCCCC1
InChIInChI=1S/C15H20F2N2O/c1-2-12(10-6-4-3-5-7-10)19-15(20)11-8-9-18-14(17)13(11)16/h8-10,12H,2-7H2,1H3,(H,19,20)
InChIKeyNMXMHHPDFSSBIV-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.45
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

N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382250
N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide
CID 63189612
N-(1-cyclohexylpropyl)-2-sulfanylbenzamide
CID 107028366
N-(1-cyclohexylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 62407614
N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide
CID 103337419
N-(1-cyclohexylpropyl)-4-hydrazinylpyridine-2-carboxamide
CID 62407089
2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129
2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 105380359
N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide
CID 107722905
N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 105381320

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide (CID 105381145) is N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide is CCC(NC(=O)c1ccnc(F)c1F)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is NMXMHHPDFSSBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-2-12(10-6-4-3-5-7-10)19-15(20)11-8-9-18-14(17)13(11)16/h8-10,12H,2-7H2,1H3,(H,19,20).
What are the key properties of N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide?
N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105381145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).