6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C17H16F3N5O3 — CID 117072751

IUPAC6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)c1cccc(Nc2ccc3[nH]ncc3c2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15N5O.C2HF3O2/c1-20(2)15(21)13-4-3-5-14(18-13)17-11-6-7-12-10(8-11)9-16-19-12;3-2(4,5)1(6)7/h3-9H,1-2H3,(H,16,19)(H,17,18);(H,6,7)
InChIKeyFCJYIVDEGWYSNC-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.04
Rot. Bonds3

About 6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid

6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 117072751) has the molecular formula C17H16F3N5O3 and a molecular weight of 395.34 g/mol. Its IUPAC name is 6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID117072751
Molecular FormulaC17H16F3N5O3
Molecular Weight395.34 g/mol
Exact Mass395.12
IUPAC Name6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)c1cccc(Nc2ccc3[nH]ncc3c2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15N5O.C2HF3O2/c1-20(2)15(21)13-4-3-5-14(18-13)17-11-6-7-12-10(8-11)9-16-19-12;3-2(4,5)1(6)7/h3-9H,1-2H3,(H,16,19)(H,17,18);(H,6,7)
InChIKeyFCJYIVDEGWYSNC-UHFFFAOYSA-N
XLogP3.04
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 117072751) is 6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)c1cccc(Nc2ccc3[nH]ncc3c2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FCJYIVDEGWYSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O.C2HF3O2/c1-20(2)15(21)13-4-3-5-14(18-13)17-11-6-7-12-10(8-11)9-16-19-12;3-2(4,5)1(6)7/h3-9H,1-2H3,(H,16,19)(H,17,18);(H,6,7).
What are the key properties of 6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 395.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-5-ylamino)-N,N-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117072751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).