2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone

C16H25N5O — CID 56780019

IUPAC2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone
SMILESCc1ccc(NC2CCN(C(=O)CN(C)C3CC3)CC2)nn1
InChIInChI=1S/C16H25N5O/c1-12-3-6-15(19-18-12)17-13-7-9-21(10-8-13)16(22)11-20(2)14-4-5-14/h3,6,13-14H,4-5,7-11H2,1-2H3,(H,17,19)
InChIKeyWLCLDJQLGNQUMN-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.28
Rot. Bonds5

About 2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone

2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone (PubChem CID 56780019) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone
PubChem CID56780019
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone
SMILESCc1ccc(NC2CCN(C(=O)CN(C)C3CC3)CC2)nn1
InChIInChI=1S/C16H25N5O/c1-12-3-6-15(19-18-12)17-13-7-9-21(10-8-13)16(22)11-20(2)14-4-5-14/h3,6,13-14H,4-5,7-11H2,1-2H3,(H,17,19)
InChIKeyWLCLDJQLGNQUMN-UHFFFAOYSA-N
XLogP1.28
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone (CID 56780019) is 2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone is Cc1ccc(NC2CCN(C(=O)CN(C)C3CC3)CC2)nn1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is WLCLDJQLGNQUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-12-3-6-15(19-18-12)17-13-7-9-21(10-8-13)16(22)11-20(2)14-4-5-14/h3,6,13-14H,4-5,7-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone?
2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 303.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 56780019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).