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

C18H24N4O3 — CID 128922737

IUPACN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C18H24N4O3/c1-13(2)11-21-7-8-25-14(12-21)9-20-17(23)15-10-19-16-5-3-4-6-22(16)18(15)24/h3-6,10,13-14H,7-9,11-12H2,1-2H3,(H,20,23)
InChIKeyBITDAAHGJGMFPG-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.78
Rot. Bonds5

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

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 128922737) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID128922737
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C18H24N4O3/c1-13(2)11-21-7-8-25-14(12-21)9-20-17(23)15-10-19-16-5-3-4-6-22(16)18(15)24/h3-6,10,13-14H,7-9,11-12H2,1-2H3,(H,20,23)
InChIKeyBITDAAHGJGMFPG-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 ≤ 500344.42
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-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 128922737) is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)CN1CCOC(CNC(=O)c2cnc3ccccn3c2=O)C1.
What is the InChIKey of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BITDAAHGJGMFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(2)11-21-7-8-25-14(12-21)9-20-17(23)15-10-19-16-5-3-4-6-22(16)18(15)24/h3-6,10,13-14H,7-9,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 344.42 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-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 128922737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).