2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

C10H13F3N4O — CID 79877730

IUPAC2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNCCCNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-3-2-6(8(15)18)9(17-7)16-5-1-4-14/h2-3H,1,4-5,14H2,(H2,15,18)(H,16,17)
InChIKeyXEDHZXWJEVMLMN-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.96
Rot. Bonds5

About 2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79877730) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79877730
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNCCCNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-3-2-6(8(15)18)9(17-7)16-5-1-4-14/h2-3H,1,4-5,14H2,(H2,15,18)(H,16,17)
InChIKeyXEDHZXWJEVMLMN-UHFFFAOYSA-N
XLogP0.96
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,7-dimethylpyrido[2,3-d]pyrimidin-4(3H)-one
CID 135408240
2-Amino-4,6-dimethylpyridine-3-carboxamide
CID 252216
1,8-Naphthyridin-4-ol, 7-methyl-2-propyl-
CID 13155595
6-(Cyclopentylamino)pyridine-3-Carboxamide
CID 112722808
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinamide
CID 686880
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
2-[(Anilinocarbonyl)amino]-4,6-dimethylnicotinamide
CID 4362481
2-Propylamino-nicotinamide
CID 651580
6-(Methylamino)nicotinamide
CID 3031421
2-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one
CID 5468784
2-(4-Fluorophenyl)-7-methyl-1,8-naphthyridin-4-ol
CID 5468910
2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 136127010

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79877730) is 2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is NCCCNc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XEDHZXWJEVMLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)7-3-2-6(8(15)18)9(17-7)16-5-1-4-14/h2-3H,1,4-5,14H2,(H2,15,18)(H,16,17).
What are the key properties of 2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79877730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).