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

C19H26N8O — CID 88995125

IUPAC2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(Nc2nc(CC)nc(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C19H26N8O/c1-4-7-21-17(28)14-6-8-20-16(13-14)23-18-22-15(5-2)24-19(25-18)27-11-9-26(3)10-12-27/h4,6,8,13H,1,5,7,9-12H2,2-3H3,(H,21,28)(H,20,22,23,24,25)
InChIKeyDGTRSJXARPYZRO-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.24
Rot. Bonds7

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

2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide (PubChem CID 88995125) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide
PubChem CID88995125
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(Nc2nc(CC)nc(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C19H26N8O/c1-4-7-21-17(28)14-6-8-20-16(13-14)23-18-22-15(5-2)24-19(25-18)27-11-9-26(3)10-12-27/h4,6,8,13H,1,5,7,9-12H2,2-3H3,(H,21,28)(H,20,22,23,24,25)
InChIKeyDGTRSJXARPYZRO-UHFFFAOYSA-N
XLogP1.24
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide
CID 70816172
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
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-(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
6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide
CID 70816129
4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202089
2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide
CID 70815918
N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 70815764
1-[2-[[4-(2,6-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-phenylethanone
CID 162132037

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide?
The IUPAC name of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide (CID 88995125) is 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide.
What is the SMILES notation for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide?
The canonical SMILES for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide is C=CCNC(=O)c1ccnc(Nc2nc(CC)nc(N3CCN(C)CC3)n2)c1.
What is the InChIKey of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide?
The InChIKey is DGTRSJXARPYZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-4-7-21-17(28)14-6-8-20-16(13-14)23-18-22-15(5-2)24-19(25-18)27-11-9-26(3)10-12-27/h4,6,8,13H,1,5,7,9-12H2,2-3H3,(H,21,28)(H,20,22,23,24,25).
What are the key properties of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide?
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.24, 7 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]-N-prop-2-enylpyridine-4-carboxamide is sourced from PubChem (CID 88995125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).