2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide

C17H27N5O3 — CID 70755053

IUPAC2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C17H27N5O3/c1-12(2)17(25)19-11-15(23)18-9-13-4-6-22(7-5-13)14-8-16(24)21(3)20-10-14/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,18,23)(H,19,25)
InChIKeyVPAUPWSUXFVQQJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.11
Rot. Bonds6

About 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide

2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide (PubChem CID 70755053) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide
PubChem CID70755053
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C17H27N5O3/c1-12(2)17(25)19-11-15(23)18-9-13-4-6-22(7-5-13)14-8-16(24)21(3)20-10-14/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,18,23)(H,19,25)
InChIKeyVPAUPWSUXFVQQJ-UHFFFAOYSA-N
XLogP-0.11
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide with MolForge

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Related Compounds

2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
(2S)-2-amino-2-cyclohexyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}acetamide
CID 70773681
1-isopropyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-L-prolinamide
CID 70780050
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
4-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202026
N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202047
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202052
4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202054
N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202065
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202079

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide (CID 70755053) is 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide is CC(C)C(=O)NCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide?
The InChIKey is VPAUPWSUXFVQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-12(2)17(25)19-11-15(23)18-9-13-4-6-22(7-5-13)14-8-16(24)21(3)20-10-14/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,18,23)(H,19,25).
What are the key properties of 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide?
2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide has a molecular weight of 349.44 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methylamino]-2-oxoethyl]propanamide is sourced from PubChem (CID 70755053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).