N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide

C20H20N4O3 — CID 122179714

IUPACN-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
SMILESCc1ccc(NC(=O)c2cccn3c(=O)cc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C20H20N4O3/c1-14-4-6-15(7-5-14)21-20(26)16-3-2-8-24-18(25)13-17(22-19(16)24)23-9-11-27-12-10-23/h2-8,13H,9-12H2,1H3,(H,21,26)
InChIKeyKVTLCPXSSRRLQI-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.09
Rot. Bonds3

About N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide

N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide (PubChem CID 122179714) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
PubChem CID122179714
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
SMILESCc1ccc(NC(=O)c2cccn3c(=O)cc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C20H20N4O3/c1-14-4-6-15(7-5-14)21-20(26)16-3-2-8-24-18(25)13-17(22-19(16)24)23-9-11-27-12-10-23/h2-8,13H,9-12H2,1H3,(H,21,26)
InChIKeyKVTLCPXSSRRLQI-UHFFFAOYSA-N
XLogP2.09
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide (CID 122179714) is N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide is Cc1ccc(NC(=O)c2cccn3c(=O)cc(N4CCOCC4)nc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide?
The InChIKey is KVTLCPXSSRRLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-4-6-15(7-5-14)21-20(26)16-3-2-8-24-18(25)13-17(22-19(16)24)23-9-11-27-12-10-23/h2-8,13H,9-12H2,1H3,(H,21,26).
What are the key properties of N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide?
N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide is sourced from PubChem (CID 122179714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).