N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H24N4O3 — CID 51075699

IUPACN-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)C(CNC(=O)c1cnc2ccccn2c1=O)N1CCOCC1
InChIInChI=1S/C18H24N4O3/c1-13(2)15(21-7-9-25-10-8-21)12-20-17(23)14-11-19-16-5-3-4-6-22(16)18(14)24/h3-6,11,13,15H,7-10,12H2,1-2H3,(H,20,23)
InChIKeyONNSFSXIWBCOLL-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.78
Rot. Bonds5

About N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 51075699) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID51075699
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC NameN-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)C(CNC(=O)c1cnc2ccccn2c1=O)N1CCOCC1
InChIInChI=1S/C18H24N4O3/c1-13(2)15(21-7-9-25-10-8-21)12-20-17(23)14-11-19-16-5-3-4-6-22(16)18(14)24/h3-6,11,13,15H,7-10,12H2,1-2H3,(H,20,23)
InChIKeyONNSFSXIWBCOLL-UHFFFAOYSA-N
XLogP0.78
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 51075699) is N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)C(CNC(=O)c1cnc2ccccn2c1=O)N1CCOCC1.
What is the InChIKey of N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ONNSFSXIWBCOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(2)15(21-7-9-25-10-8-21)12-20-17(23)14-11-19-16-5-3-4-6-22(16)18(14)24/h3-6,11,13,15H,7-10,12H2,1-2H3,(H,20,23).
What are the key properties of N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51075699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).