N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide

C13H14F2N2O — CID 105381100

IUPACN-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(NCC1CC=CCC1)c1ccnc(F)c1F
InChIInChI=1S/C13H14F2N2O/c14-11-10(6-7-16-12(11)15)13(18)17-8-9-4-2-1-3-5-9/h1-2,6-7,9H,3-5,8H2,(H,17,18)
InChIKeyZAOSXECXUKVELX-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.45
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide

N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 105381100) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID105381100
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(NCC1CC=CCC1)c1ccnc(F)c1F
InChIInChI=1S/C13H14F2N2O/c14-11-10(6-7-16-12(11)15)13(18)17-8-9-4-2-1-3-5-9/h1-2,6-7,9H,3-5,8H2,(H,17,18)
InChIKeyZAOSXECXUKVELX-UHFFFAOYSA-N
XLogP2.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107295633
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide
CID 113304561
2-amino-N-(cyclopropylmethyl)-3-fluoropyridine-4-carboxamide
CID 105384388
2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 47436865
3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide
CID 107518869
N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide
CID 113227469
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide
CID 102705456
N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381247
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
5-amino-N-(cyclohex-3-en-1-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519091
4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 102851555

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide (CID 105381100) is N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide is O=C(NCC1CC=CCC1)c1ccnc(F)c1F.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is ZAOSXECXUKVELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c14-11-10(6-7-16-12(11)15)13(18)17-8-9-4-2-1-3-5-9/h1-2,6-7,9H,3-5,8H2,(H,17,18).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide?
N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 252.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105381100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).