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

C15H13F2N3O — CID 109202462

IUPACN-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H13F2N3O/c1-2-6-18-10-5-7-19-14(9-10)15(21)20-11-3-4-12(16)13(17)8-11/h2-5,7-9H,1,6H2,(H,18,19)(H,20,21)
InChIKeyNKBOSPLSIDHOKS-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.21
Rot. Bonds5

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

N-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide (PubChem CID 109202462) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
PubChem CID109202462
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC NameN-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H13F2N3O/c1-2-6-18-10-5-7-19-14(9-10)15(21)20-11-3-4-12(16)13(17)8-11/h2-5,7-9H,1,6H2,(H,18,19)(H,20,21)
InChIKeyNKBOSPLSIDHOKS-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)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180618
N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213522
N-(3,4-difluorophenyl)-4-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211615
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202435
N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206385
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
4-amino-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 62154867
4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 115116953
4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109205065
N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207365
6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094193
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide (CID 109202462) is N-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide is C=CCNc1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide?
The InChIKey is NKBOSPLSIDHOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c1-2-6-18-10-5-7-19-14(9-10)15(21)20-11-3-4-12(16)13(17)8-11/h2-5,7-9H,1,6H2,(H,18,19)(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide?
N-(3,4-difluorophenyl)-4-(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)-4-(prop-2-enylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109202462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).