N-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide

C18H26N6O3 — CID 72916404

IUPACN-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide
SMILESCC(c1ccon1)N(C)C(=O)Cn1ncc(N2CCCN(C)CC2)cc1=O
InChIInChI=1S/C18H26N6O3/c1-14(16-5-10-27-20-16)22(3)18(26)13-24-17(25)11-15(12-19-24)23-7-4-6-21(2)8-9-23/h5,10-12,14H,4,6-9,13H2,1-3H3
InChIKeyPPCOCDFCLRPSSM-UHFFFAOYSA-N
MW374.45 g/mol
LogP0.59
Rot. Bonds5

About N-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide

N-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide (PubChem CID 72916404) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide
PubChem CID72916404
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC NameN-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide
SMILESCC(c1ccon1)N(C)C(=O)Cn1ncc(N2CCCN(C)CC2)cc1=O
InChIInChI=1S/C18H26N6O3/c1-14(16-5-10-27-20-16)22(3)18(26)13-24-17(25)11-15(12-19-24)23-7-4-6-21(2)8-9-23/h5,10-12,14H,4,6-9,13H2,1-3H3
InChIKeyPPCOCDFCLRPSSM-UHFFFAOYSA-N
XLogP0.59
TPSA87.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide?
The IUPAC name of N-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide (CID 72916404) is N-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide is CC(c1ccon1)N(C)C(=O)Cn1ncc(N2CCCN(C)CC2)cc1=O.
What is the InChIKey of N-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide?
The InChIKey is PPCOCDFCLRPSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-14(16-5-10-27-20-16)22(3)18(26)13-24-17(25)11-15(12-19-24)23-7-4-6-21(2)8-9-23/h5,10-12,14H,4,6-9,13H2,1-3H3.
What are the key properties of N-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide?
N-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide has a molecular weight of 374.45 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[1-(1,2-oxazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 72916404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).