5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide

C16H13ClFN3O2 — CID 109101837

IUPAC5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cncc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H13ClFN3O2/c1-2-5-20-15(22)10-6-11(9-19-8-10)16(23)21-12-3-4-14(18)13(17)7-12/h2-4,6-9H,1,5H2,(H,20,22)(H,21,23)
InChIKeyZBJCOUDGHFHZGE-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.04
Rot. Bonds5

About 5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide

5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide (PubChem CID 109101837) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is 5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
PubChem CID109101837
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC Name5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cncc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H13ClFN3O2/c1-2-5-20-15(22)10-6-11(9-19-8-10)16(23)21-12-3-4-14(18)13(17)7-12/h2-4,6-9H,1,5H2,(H,20,22)(H,21,23)
InChIKeyZBJCOUDGHFHZGE-UHFFFAOYSA-N
XLogP3.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N-(2,5-dichlorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101895
3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109108356
N-(3-chloro-4-fluorophenyl)-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109243498
N-(3-chloro-4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235706
N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109242960
N-(3-chloro-4-fluorophenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229991
3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050974
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101872
4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9165964
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224318
4-N-(3-chloro-4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047685
4-chloro-3-fluoro-N-prop-2-enylbenzamide
CID 103875478

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide (CID 109101837) is 5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide is C=CCNC(=O)c1cncc(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide?
The InChIKey is ZBJCOUDGHFHZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c1-2-5-20-15(22)10-6-11(9-19-8-10)16(23)21-12-3-4-14(18)13(17)7-12/h2-4,6-9H,1,5H2,(H,20,22)(H,21,23).
What are the key properties of 5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide?
5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide has a molecular weight of 333.75 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).