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

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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).