N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide

C18H18N4O3 — CID 126938783

IUPACN-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide
SMILESCc1ccc(=O)n(C2COCC2NC(=O)c2cc3ccccn3c2)n1
InChIInChI=1S/C18H18N4O3/c1-12-5-6-17(23)22(20-12)16-11-25-10-15(16)19-18(24)13-8-14-4-2-3-7-21(14)9-13/h2-9,15-16H,10-11H2,1H3,(H,19,24)
InChIKeyQTQFRTFZQUBYOL-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.17
Rot. Bonds3

About N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide

N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide (PubChem CID 126938783) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide
PubChem CID126938783
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide
SMILESCc1ccc(=O)n(C2COCC2NC(=O)c2cc3ccccn3c2)n1
InChIInChI=1S/C18H18N4O3/c1-12-5-6-17(23)22(20-12)16-11-25-10-15(16)19-18(24)13-8-14-4-2-3-7-21(14)9-13/h2-9,15-16H,10-11H2,1H3,(H,19,24)
InChIKeyQTQFRTFZQUBYOL-UHFFFAOYSA-N
XLogP1.17
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide?
The IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide (CID 126938783) is N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide.
What is the SMILES notation for N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide?
The canonical SMILES for N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide is Cc1ccc(=O)n(C2COCC2NC(=O)c2cc3ccccn3c2)n1.
What is the InChIKey of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide?
The InChIKey is QTQFRTFZQUBYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-5-6-17(23)22(20-12)16-11-25-10-15(16)19-18(24)13-8-14-4-2-3-7-21(14)9-13/h2-9,15-16H,10-11H2,1H3,(H,19,24).
What are the key properties of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide?
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide is sourced from PubChem (CID 126938783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).