N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide

C12H14F2N2O — CID 105380283

IUPACN-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C12H14F2N2O/c1-4-16(7-8(2)3)12(17)9-5-6-15-11(14)10(9)13/h5-6H,2,4,7H2,1,3H3
InChIKeyCRBNOLCTLOREEU-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.40
Rot. Bonds4

About N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide

N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide (PubChem CID 105380283) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide
PubChem CID105380283
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC NameN-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C12H14F2N2O/c1-4-16(7-8(2)3)12(17)9-5-6-15-11(14)10(9)13/h5-6H,2,4,7H2,1,3H3
InChIKeyCRBNOLCTLOREEU-UHFFFAOYSA-N
XLogP2.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide (CID 105380283) is N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide is C=C(C)CN(CC)C(=O)c1ccnc(F)c1F.
What is the InChIKey of N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide?
The InChIKey is CRBNOLCTLOREEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-4-16(7-8(2)3)12(17)9-5-6-15-11(14)10(9)13/h5-6H,2,4,7H2,1,3H3.
What are the key properties of N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide?
N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide is sourced from PubChem (CID 105380283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).