6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide

C22H26N8O — CID 70816129

IUPAC6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide
SMILESCCc1nc(Nc2cccc(C(=O)Nc3ccccc3)n2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H26N8O/c1-3-18-25-21(28-22(27-18)30-14-12-29(2)13-15-30)26-19-11-7-10-17(24-19)20(31)23-16-8-5-4-6-9-16/h4-11H,3,12-15H2,1-2H3,(H,23,31)(H,24,25,26,27,28)
InChIKeyNHZXNZWOUOJHKI-UHFFFAOYSA-N
MW418.51 g/mol
LogP2.58
Rot. Bonds6

About 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide

6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide (PubChem CID 70816129) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide
PubChem CID70816129
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide
SMILESCCc1nc(Nc2cccc(C(=O)Nc3ccccc3)n2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H26N8O/c1-3-18-25-21(28-22(27-18)30-14-12-29(2)13-15-30)26-19-11-7-10-17(24-19)20(31)23-16-8-5-4-6-9-16/h4-11H,3,12-15H2,1-2H3,(H,23,31)(H,24,25,26,27,28)
InChIKeyNHZXNZWOUOJHKI-UHFFFAOYSA-N
XLogP2.58
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide with MolForge

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Related Compounds

6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 70815544
N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 70815764
N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide
CID 70815466
6-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide
CID 70816024
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 70815864
6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide
CID 88994960
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide
CID 70816172
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide
CID 70815636
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide
CID 88995125
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 70816010
2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide
CID 70815918

Frequently Asked Questions

What is the IUPAC name of 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide?
The IUPAC name of 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide (CID 70816129) is 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide is CCc1nc(Nc2cccc(C(=O)Nc3ccccc3)n2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide?
The InChIKey is NHZXNZWOUOJHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-3-18-25-21(28-22(27-18)30-14-12-29(2)13-15-30)26-19-11-7-10-17(24-19)20(31)23-16-8-5-4-6-9-16/h4-11H,3,12-15H2,1-2H3,(H,23,31)(H,24,25,26,27,28).
What are the key properties of 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide?
6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide has a molecular weight of 418.51 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 70816129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).