5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide

C17H23N5O3 — CID 126937418

IUPAC5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCN2CCn2ncccc2=O)no1
InChIInChI=1S/C17H23N5O3/c1-13-11-15(20-25-13)17(24)18-12-14-5-2-3-8-21(14)9-10-22-16(23)6-4-7-19-22/h4,6-7,11,14H,2-3,5,8-10,12H2,1H3,(H,18,24)
InChIKeyCQDYUINRPPTLON-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.82
Rot. Bonds6

About 5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 126937418) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID126937418
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCN2CCn2ncccc2=O)no1
InChIInChI=1S/C17H23N5O3/c1-13-11-15(20-25-13)17(24)18-12-14-5-2-3-8-21(14)9-10-22-16(23)6-4-7-19-22/h4,6-7,11,14H,2-3,5,8-10,12H2,1H3,(H,18,24)
InChIKeyCQDYUINRPPTLON-UHFFFAOYSA-N
XLogP0.82
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126937456
3-methyl-6-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrimidin-4-one
CID 126937568
3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126937584
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]pyrazine-2-carboxamide
CID 126937610
2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937509
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137193700
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide
CID 126937660
2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923176
2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937517
N-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 126937798
5-methyl-N-[[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131917051
4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide
CID 126937766

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide (CID 126937418) is 5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC2CCCCN2CCn2ncccc2=O)no1.
What is the InChIKey of 5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is CQDYUINRPPTLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-13-11-15(20-25-13)17(24)18-12-14-5-2-3-8-21(14)9-10-22-16(23)6-4-7-19-22/h4,6-7,11,14H,2-3,5,8-10,12H2,1H3,(H,18,24).
What are the key properties of 5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126937418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).