N-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide

C17H16N4O3 — CID 164619820

IUPACN-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c3nc[nH]c(=O)c3c3n2CCC3)cc1
InChIInChI=1S/C17H16N4O3/c1-24-11-6-4-10(5-7-11)20-17(23)15-14-13(16(22)19-9-18-14)12-3-2-8-21(12)15/h4-7,9H,2-3,8H2,1H3,(H,20,23)(H,18,19,22)
InChIKeyIOYNEDVRPREWLQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.93
Rot. Bonds3

About N-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide

N-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide (PubChem CID 164619820) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide
PubChem CID164619820
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c3nc[nH]c(=O)c3c3n2CCC3)cc1
InChIInChI=1S/C17H16N4O3/c1-24-11-6-4-10(5-7-11)20-17(23)15-14-13(16(22)19-9-18-14)12-3-2-8-21(12)15/h4-7,9H,2-3,8H2,1H3,(H,20,23)(H,18,19,22)
InChIKeyIOYNEDVRPREWLQ-UHFFFAOYSA-N
XLogP1.93
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide (CID 164619820) is N-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide is COc1ccc(NC(=O)c2c3nc[nH]c(=O)c3c3n2CCC3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide?
The InChIKey is IOYNEDVRPREWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-24-11-6-4-10(5-7-11)20-17(23)15-14-13(16(22)19-9-18-14)12-3-2-8-21(12)15/h4-7,9H,2-3,8H2,1H3,(H,20,23)(H,18,19,22).
What are the key properties of N-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide?
N-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide is sourced from PubChem (CID 164619820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).