N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide

C13H9F4N3O — CID 64949859

IUPACN-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESNc1ccc(NC(=O)c2ccncc2F)c(C(F)(F)F)c1
InChIInChI=1S/C13H9F4N3O/c14-10-6-19-4-3-8(10)12(21)20-11-2-1-7(18)5-9(11)13(15,16)17/h1-6H,18H2,(H,20,21)
InChIKeyPDPOXASRXGUHHE-UHFFFAOYSA-N
MW299.23 g/mol
LogP3.07
Rot. Bonds2

About N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide

N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 64949859) has the molecular formula C13H9F4N3O and a molecular weight of 299.23 g/mol. Its IUPAC name is N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide
PubChem CID64949859
Molecular FormulaC13H9F4N3O
Molecular Weight299.23 g/mol
Exact Mass299.07
IUPAC NameN-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESNc1ccc(NC(=O)c2ccncc2F)c(C(F)(F)F)c1
InChIInChI=1S/C13H9F4N3O/c14-10-6-19-4-3-8(10)12(21)20-11-2-1-7(18)5-9(11)13(15,16)17/h1-6H,18H2,(H,20,21)
InChIKeyPDPOXASRXGUHHE-UHFFFAOYSA-N
XLogP3.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 53.07
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-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 64950063
3-fluoro-N-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyridine-4-carboxamide
CID 121264530
4-amino-N-[4-[[4-amino-2-(trifluoromethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzamide
CID 135301185
N-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106683164
5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide
CID 107594566
N-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
CID 43548408
4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 150605694
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 81024129
N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide
CID 81228966
N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide
CID 105062950
N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide
CID 66464357
1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide
CID 175351009

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide (CID 64949859) is N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide is Nc1ccc(NC(=O)c2ccncc2F)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is PDPOXASRXGUHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N3O/c14-10-6-19-4-3-8(10)12(21)20-11-2-1-7(18)5-9(11)13(15,16)17/h1-6H,18H2,(H,20,21).
What are the key properties of N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide?
N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 299.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64949859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).