2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide

C20H27N5O2 — CID 45173924

IUPAC2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide
SMILESCN(CCc1ccccc1)c1cnn(CC(=O)NC2CCCNC2)c(=O)c1
InChIInChI=1S/C20H27N5O2/c1-24(11-9-16-6-3-2-4-7-16)18-12-20(27)25(22-14-18)15-19(26)23-17-8-5-10-21-13-17/h2-4,6-7,12,14,17,21H,5,8-11,13,15H2,1H3,(H,23,26)
InChIKeyDPSXMEOECALMRQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.79
Rot. Bonds7

About 2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide

2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide (PubChem CID 45173924) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide
PubChem CID45173924
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide
SMILESCN(CCc1ccccc1)c1cnn(CC(=O)NC2CCCNC2)c(=O)c1
InChIInChI=1S/C20H27N5O2/c1-24(11-9-16-6-3-2-4-7-16)18-12-20(27)25(22-14-18)15-19(26)23-17-8-5-10-21-13-17/h2-4,6-7,12,14,17,21H,5,8-11,13,15H2,1H3,(H,23,26)
InChIKeyDPSXMEOECALMRQ-UHFFFAOYSA-N
XLogP0.79
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one
CID 72879270
5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 56885157
1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119428406
5-[methyl(2-phenylethyl)amino]-2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridazin-3-one
CID 97284120
2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide
CID 119424441
N-piperidin-3-yl-2-pyridin-3-ylacetamide
CID 63321155
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one
CID 72868473
3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119427806
N-cyclopropyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
CID 103218488
4-methylsulfanyl-2-[(2-phenylacetyl)amino]-N-piperidin-3-ylbutanamide
CID 119427928
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride
CID 119427693

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide?
The IUPAC name of 2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide (CID 45173924) is 2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide.
What is the SMILES notation for 2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide?
The canonical SMILES for 2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide is CN(CCc1ccccc1)c1cnn(CC(=O)NC2CCCNC2)c(=O)c1.
What is the InChIKey of 2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide?
The InChIKey is DPSXMEOECALMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-24(11-9-16-6-3-2-4-7-16)18-12-20(27)25(22-14-18)15-19(26)23-17-8-5-10-21-13-17/h2-4,6-7,12,14,17,21H,5,8-11,13,15H2,1H3,(H,23,26).
What are the key properties of 2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide?
2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide has a molecular weight of 369.47 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide is sourced from PubChem (CID 45173924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).