N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide

C15H13F2N3O — CID 109180618

IUPACN-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C15H13F2N3O/c1-2-7-18-11-4-6-14(19-9-11)15(21)20-10-3-5-12(16)13(17)8-10/h2-6,8-9,18H,1,7H2,(H,20,21)
InChIKeyCXCNXEWTCJXLEU-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.21
Rot. Bonds5

About N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide

N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide (PubChem CID 109180618) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
PubChem CID109180618
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC NameN-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C15H13F2N3O/c1-2-7-18-11-4-6-14(19-9-11)15(21)20-10-3-5-12(16)13(17)8-10/h2-6,8-9,18H,1,7H2,(H,20,21)
InChIKeyCXCNXEWTCJXLEU-UHFFFAOYSA-N
XLogP3.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.21
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

N-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202462
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977
6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094193
N-(3,4-difluorophenyl)-5-(4-ethylanilino)pyridine-2-carboxamide
CID 109198480
N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180619
5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109200045
N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180426
5-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109190697
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide
CID 113023833
N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180508
ethyl 4-[[5-(3,4-difluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200789

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide (CID 109180618) is N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide is C=CCNc1ccc(C(=O)Nc2ccc(F)c(F)c2)nc1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
The InChIKey is CXCNXEWTCJXLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c1-2-7-18-11-4-6-14(19-9-11)15(21)20-10-3-5-12(16)13(17)8-10/h2-6,8-9,18H,1,7H2,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109180618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).