2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide

C15H15N5O — CID 61176213

IUPAC2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(-n2ncc3ccc(N)cc32)n1
InChIInChI=1S/C15H15N5O/c1-8-5-9(2)19-15(13(8)14(17)21)20-12-6-11(16)4-3-10(12)7-18-20/h3-7H,16H2,1-2H3,(H2,17,21)
InChIKeyLVOBEPHAFTXGMB-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.72
Rot. Bonds2

About 2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide

2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 61176213) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide
PubChem CID61176213
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(-n2ncc3ccc(N)cc32)n1
InChIInChI=1S/C15H15N5O/c1-8-5-9(2)19-15(13(8)14(17)21)20-12-6-11(16)4-3-10(12)7-18-20/h3-7H,16H2,1-2H3,(H2,17,21)
InChIKeyLVOBEPHAFTXGMB-UHFFFAOYSA-N
XLogP1.72
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide (CID 61176213) is 2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(-n2ncc3ccc(N)cc32)n1.
What is the InChIKey of 2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is LVOBEPHAFTXGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-8-5-9(2)19-15(13(8)14(17)21)20-12-6-11(16)4-3-10(12)7-18-20/h3-7H,16H2,1-2H3,(H2,17,21).
What are the key properties of 2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide?
2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoindazol-1-yl)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 61176213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).