N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide

C16H13ClF3N3O — CID 109224318

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13ClF3N3O/c1-2-5-22-12-6-10(8-21-9-12)15(24)23-11-3-4-14(17)13(7-11)16(18,19)20/h2-4,6-9,22H,1,5H2,(H,23,24)
InChIKeySOHMFPKPCYAWNC-UHFFFAOYSA-N
MW355.75 g/mol
LogP4.60
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide (PubChem CID 109224318) has the molecular formula C16H13ClF3N3O and a molecular weight of 355.75 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
PubChem CID109224318
Molecular FormulaC16H13ClF3N3O
Molecular Weight355.75 g/mol
Exact Mass355.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13ClF3N3O/c1-2-5-22-12-6-10(8-21-9-12)15(24)23-11-3-4-14(17)13(7-11)16(18,19)20/h2-4,6-9,22H,1,5H2,(H,23,24)
InChIKeySOHMFPKPCYAWNC-UHFFFAOYSA-N
XLogP4.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.75
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109224282
N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224241
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
CID 109238984
N-(3-bromo-4-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224270
N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224323
N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224281
N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224263
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226611
5-(prop-2-enylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109224296
5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide
CID 109222936
5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101837
N-[4-(4-methylpiperidin-1-yl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224298

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide (CID 109224318) is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide is C=CCNc1cncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide?
The InChIKey is SOHMFPKPCYAWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N3O/c1-2-5-22-12-6-10(8-21-9-12)15(24)23-11-3-4-14(17)13(7-11)16(18,19)20/h2-4,6-9,22H,1,5H2,(H,23,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide has a molecular weight of 355.75 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109224318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).