1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide

C14H12F3N3O — CID 106218185

IUPAC1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NC2(C(F)(F)F)CC2)c2ccccc12
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)13(5-6-13)20-12(21)10-7-19-11(18)9-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H2,18,19)(H,20,21)
InChIKeyVWBBWADQXUFKDO-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.64
Rot. Bonds2

About 1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide

1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide (PubChem CID 106218185) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide
PubChem CID106218185
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NC2(C(F)(F)F)CC2)c2ccccc12
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)13(5-6-13)20-12(21)10-7-19-11(18)9-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H2,18,19)(H,20,21)
InChIKeyVWBBWADQXUFKDO-UHFFFAOYSA-N
XLogP2.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218219
1-amino-N-(4,4,4-trifluorobutyl)isoquinoline-4-carboxamide
CID 106772541
1-amino-N-cyclopentylisoquinoline-4-carboxamide
CID 106770096
3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158345
1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide
CID 106770157
5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
CID 70935267
4-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106211259
2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218163
1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide
CID 106098409
1-amino-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770080
1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide
CID 106772163
3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide
CID 106211269

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide (CID 106218185) is 1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide is Nc1ncc(C(=O)NC2(C(F)(F)F)CC2)c2ccccc12.
What is the InChIKey of 1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide?
The InChIKey is VWBBWADQXUFKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)13(5-6-13)20-12(21)10-7-19-11(18)9-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H2,18,19)(H,20,21).
What are the key properties of 1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide?
1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide has a molecular weight of 295.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide is sourced from PubChem (CID 106218185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).