2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide

C11H12Cl2N2O — CID 114918873

IUPAC2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide
SMILESC=CCC(C)NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-3-4-7(2)15-11(16)8-5-10(13)14-6-9(8)12/h3,5-7H,1,4H2,2H3,(H,15,16)
InChIKeyKTFLUKFXYLMGCK-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.08
Rot. Bonds4

About 2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide

2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide (PubChem CID 114918873) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide
PubChem CID114918873
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide
SMILESC=CCC(C)NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-3-4-7(2)15-11(16)8-5-10(13)14-6-9(8)12/h3,5-7H,1,4H2,2H3,(H,15,16)
InChIKeyKTFLUKFXYLMGCK-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.08
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

2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114918896
2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 114917190
(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 114036881
2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917693
2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917727
(2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 114037237
2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 114918156
2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide
CID 114917750
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 114918638
2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 114917725
2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114918317
2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
CID 114918745

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide (CID 114918873) is 2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide is C=CCC(C)NC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide?
The InChIKey is KTFLUKFXYLMGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-3-4-7(2)15-11(16)8-5-10(13)14-6-9(8)12/h3,5-7H,1,4H2,2H3,(H,15,16).
What are the key properties of 2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide?
2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide has a molecular weight of 259.14 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 114918873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).