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

C19H26N8O — CID 70815764

IUPACN-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCc1nc(Nc2cccc(NC(=O)C3CC3)n2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H26N8O/c1-3-14-22-18(25-19(24-14)27-11-9-26(2)10-12-27)23-16-6-4-5-15(20-16)21-17(28)13-7-8-13/h4-6,13H,3,7-12H2,1-2H3,(H2,20,21,22,23,24,25,28)
InChIKeyFITGYAHWMMDKNK-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.67
Rot. Bonds6

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

N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 70815764) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID70815764
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC NameN-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCc1nc(Nc2cccc(NC(=O)C3CC3)n2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H26N8O/c1-3-14-22-18(25-19(24-14)27-11-9-26(2)10-12-27)23-16-6-4-5-15(20-16)21-17(28)13-7-8-13/h4-6,13H,3,7-12H2,1-2H3,(H2,20,21,22,23,24,25,28)
InChIKeyFITGYAHWMMDKNK-UHFFFAOYSA-N
XLogP1.67
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide (CID 70815764) is N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide is CCc1nc(Nc2cccc(NC(=O)C3CC3)n2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is FITGYAHWMMDKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-3-14-22-18(25-19(24-14)27-11-9-26(2)10-12-27)23-16-6-4-5-15(20-16)21-17(28)13-7-8-13/h4-6,13H,3,7-12H2,1-2H3,(H2,20,21,22,23,24,25,28).
What are the key properties of N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 70815764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).