4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine

C21H22N6 — CID 66804771

IUPAC4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine
SMILESCc1ccccc1-c1cc(NCCN)cc(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C21H22N6/c1-14-6-2-3-7-16(14)19-12-15(23-11-10-22)13-20(24-19)25-21-17-8-4-5-9-18(17)26-27-21/h2-9,12-13H,10-11,22H2,1H3,(H3,23,24,25,26,27)
InChIKeyXQNUVGDZWQCLFW-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.05
Rot. Bonds6

About 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine

4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine (PubChem CID 66804771) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine
PubChem CID66804771
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine
SMILESCc1ccccc1-c1cc(NCCN)cc(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C21H22N6/c1-14-6-2-3-7-16(14)19-12-15(23-11-10-22)13-20(24-19)25-21-17-8-4-5-9-18(17)26-27-21/h2-9,12-13H,10-11,22H2,1H3,(H3,23,24,25,26,27)
InChIKeyXQNUVGDZWQCLFW-UHFFFAOYSA-N
XLogP4.05
TPSA91.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine?
The IUPAC name of 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine (CID 66804771) is 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine.
What is the SMILES notation for 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine?
The canonical SMILES for 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine is Cc1ccccc1-c1cc(NCCN)cc(Nc2n[nH]c3ccccc23)n1.
What is the InChIKey of 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine?
The InChIKey is XQNUVGDZWQCLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-14-6-2-3-7-16(14)19-12-15(23-11-10-22)13-20(24-19)25-21-17-8-4-5-9-18(17)26-27-21/h2-9,12-13H,10-11,22H2,1H3,(H3,23,24,25,26,27).
What are the key properties of 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine?
4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine has a molecular weight of 358.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine is sourced from PubChem (CID 66804771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).