N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide

C12H14FN3O2 — CID 63978805

IUPACN-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1ccc(F)nc1
InChIInChI=1S/C12H14FN3O2/c1-18-8-7-16(6-2-5-14)12(17)10-3-4-11(13)15-9-10/h3-4,9H,2,6-8H2,1H3
InChIKeyJLVGAJJHNTXEQX-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.22
Rot. Bonds6

About N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide

N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 63978805) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID63978805
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC NameN-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1ccc(F)nc1
InChIInChI=1S/C12H14FN3O2/c1-18-8-7-16(6-2-5-14)12(17)10-3-4-11(13)15-9-10/h3-4,9H,2,6-8H2,1H3
InChIKeyJLVGAJJHNTXEQX-UHFFFAOYSA-N
XLogP1.22
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63979683
N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63286998
methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78962224
4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
CID 63237307
3-bromo-N-(2-cyanoethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
CID 71869269
N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide
CID 63971968
N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide
CID 63286734
N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 63237168
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107075274
2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105386249
N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63978782
methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63979190

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 63978805) is N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCN(CCC#N)C(=O)c1ccc(F)nc1.
What is the InChIKey of N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is JLVGAJJHNTXEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-18-8-7-16(6-2-5-14)12(17)10-3-4-11(13)15-9-10/h3-4,9H,2,6-8H2,1H3.
What are the key properties of N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide?
N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 63978805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).