N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride

C13H12Cl2F3N3O — CID 3042222

IUPACN-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1
InChIInChI=1S/C13H10F3N3O.2ClH/c14-13(15,16)9-3-4-10(17)11(6-9)19-12(20)8-2-1-5-18-7-8;;/h1-7H,17H2,(H,19,20);2*1H
InChIKeyWTTHDCQULQWLBP-UHFFFAOYSA-N
MW354.16 g/mol
LogP3.78
Rot. Bonds2

About N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride

N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 3042222) has the molecular formula C13H12Cl2F3N3O and a molecular weight of 354.16 g/mol. Its IUPAC name is N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID3042222
Molecular FormulaC13H12Cl2F3N3O
Molecular Weight354.16 g/mol
Exact Mass353.03
IUPAC NameN-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1
InChIInChI=1S/C13H10F3N3O.2ClH/c14-13(15,16)9-3-4-10(17)11(6-9)19-12(20)8-2-1-5-18-7-8;;/h1-7H,17H2,(H,19,20);2*1H
InChIKeyWTTHDCQULQWLBP-UHFFFAOYSA-N
XLogP3.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.16
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 171502365
N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 102921222
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride
CID 75415042
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide
CID 58578211
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81234405
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977
N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 162551404
N-(2-amino-4,6-difluorophenyl)pyridine-3-carboxamide
CID 81315271
N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide
CID 78965630

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride (CID 3042222) is N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride is Cl.Cl.Nc1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is WTTHDCQULQWLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O.2ClH/c14-13(15,16)9-3-4-10(17)11(6-9)19-12(20)8-2-1-5-18-7-8;;/h1-7H,17H2,(H,19,20);2*1H.
What are the key properties of N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride?
N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 354.16 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 3042222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).