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

C16H22N8O — CID 70816172

IUPAC2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide
SMILESCCc1nc(Nc2cc(C(N)=O)ccn2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H22N8O/c1-3-12-19-15(20-13-10-11(14(17)25)4-5-18-13)22-16(21-12)24-8-6-23(2)7-9-24/h4-5,10H,3,6-9H2,1-2H3,(H2,17,25)(H,18,19,20,21,22)
InChIKeyBUXVEXRREGKNMD-UHFFFAOYSA-N
MW342.41 g/mol
LogP0.42
Rot. Bonds5

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

2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide (PubChem CID 70816172) has the molecular formula C16H22N8O and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide
PubChem CID70816172
Molecular FormulaC16H22N8O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide
SMILESCCc1nc(Nc2cc(C(N)=O)ccn2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H22N8O/c1-3-12-19-15(20-13-10-11(14(17)25)4-5-18-13)22-16(21-12)24-8-6-23(2)7-9-24/h4-5,10H,3,6-9H2,1-2H3,(H2,17,25)(H,18,19,20,21,22)
InChIKeyBUXVEXRREGKNMD-UHFFFAOYSA-N
XLogP0.42
TPSA113.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]octan-1-one
CID 161152258
1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]pent-4-yn-1-one
CID 159698682
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 70815864
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]amino]-N-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)pyridine-4-carboxamide
CID 91359760
N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide
CID 70815466
1-[2-[[4-(2,6-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-phenylethanone
CID 162132037
N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 70815764
6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide
CID 70816129
6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide
CID 88994960
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
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 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide?
The IUPAC name of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide (CID 70816172) is 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide.
What is the SMILES notation for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide?
The canonical SMILES for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide is CCc1nc(Nc2cc(C(N)=O)ccn2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide?
The InChIKey is BUXVEXRREGKNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O/c1-3-12-19-15(20-13-10-11(14(17)25)4-5-18-13)22-16(21-12)24-8-6-23(2)7-9-24/h4-5,10H,3,6-9H2,1-2H3,(H2,17,25)(H,18,19,20,21,22).
What are the key properties of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide?
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 70816172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).