ethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine

C25H26F4N4O — CID 143484630

IUPACethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine
SMILESC=C(/C=C(\C)C(F)(F)F)c1cccnc1.CC.Cc1ccc(NC(=O)c2ccnc(F)c2)nc1
InChIInChI=1S/C12H10FN3O.C11H10F3N.C2H6/c1-8-2-3-11(15-7-8)16-12(17)9-4-5-14-10(13)6-9;1-8(6-9(2)11(12,13)14)10-4-3-5-15-7-10;1-2/h2-7H,1H3,(H,15,16,17);3-7H,1H2,2H3;1-2H3/b;9-6+;
InChIKeyVEMBXHJIBQNNGG-YJXWIHHLSA-N
MW474.50 g/mol
LogP6.81
Rot. Bonds4

About ethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine

ethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine (PubChem CID 143484630) has the molecular formula C25H26F4N4O and a molecular weight of 474.50 g/mol. Its IUPAC name is ethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine.

Molecular Properties

Compound Nameethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine
PubChem CID143484630
Molecular FormulaC25H26F4N4O
Molecular Weight474.50 g/mol
Exact Mass474.20
IUPAC Nameethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine
SMILESC=C(/C=C(\C)C(F)(F)F)c1cccnc1.CC.Cc1ccc(NC(=O)c2ccnc(F)c2)nc1
InChIInChI=1S/C12H10FN3O.C11H10F3N.C2H6/c1-8-2-3-11(15-7-8)16-12(17)9-4-5-14-10(13)6-9;1-8(6-9(2)11(12,13)14)10-4-3-5-15-7-10;1-2/h2-7H,1H3,(H,15,16,17);3-7H,1H2,2H3;1-2H3/b;9-6+;
InChIKeyVEMBXHJIBQNNGG-YJXWIHHLSA-N
XLogP6.81
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.50
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]prop-2-enoic acid
CID 76906670
N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031564
3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide
CID 35344360
N-(5-methyl-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
CID 43016681
methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
2-fluoro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 55203428
N-[5-(3-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031450
5-amino-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 110488393
N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113036060
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113046442
N-[6-[(4-amino-1,1,1-trifluoro-4-pyridin-3-ylbut-3-en-2-ylidene)amino]pyridazin-3-yl]-2-pyrimidin-5-ylpyridine-4-carboxamide
CID 173497200
2,3-difluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 105380291

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine?
The IUPAC name of ethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine (CID 143484630) is ethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine.
What is the SMILES notation for ethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine?
The canonical SMILES for ethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine is C=C(/C=C(\C)C(F)(F)F)c1cccnc1.CC.Cc1ccc(NC(=O)c2ccnc(F)c2)nc1.
What is the InChIKey of ethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine?
The InChIKey is VEMBXHJIBQNNGG-YJXWIHHLSA-N. The full InChI is InChI=1S/C12H10FN3O.C11H10F3N.C2H6/c1-8-2-3-11(15-7-8)16-12(17)9-4-5-14-10(13)6-9;1-8(6-9(2)11(12,13)14)10-4-3-5-15-7-10;1-2/h2-7H,1H3,(H,15,16,17);3-7H,1H2,2H3;1-2H3/b;9-6+;.
What are the key properties of ethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine?
ethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine has a molecular weight of 474.50 g/mol, XLogP of 6.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine is sourced from PubChem (CID 143484630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).