3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide

C18H22N4O3 — CID 44782843

IUPAC3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1cnc2ccc(C(=O)N3CCCC3)cn2c1=O
InChIInChI=1S/C18H22N4O3/c1-12(2)9-16(23)20-14-10-19-15-6-5-13(11-22(15)18(14)25)17(24)21-7-3-4-8-21/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,20,23)
InChIKeyCPMQYOOPKGZBKA-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.92
Rot. Bonds4

About 3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide

3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide (PubChem CID 44782843) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide
PubChem CID44782843
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1cnc2ccc(C(=O)N3CCCC3)cn2c1=O
InChIInChI=1S/C18H22N4O3/c1-12(2)9-16(23)20-14-10-19-15-6-5-13(11-22(15)18(14)25)17(24)21-7-3-4-8-21/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,20,23)
InChIKeyCPMQYOOPKGZBKA-UHFFFAOYSA-N
XLogP1.92
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,5-Diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
CID 2366895
N-{2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-3,3-dimethylbutanamide
CID 16835719
N-(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)butyramide
CID 16835720
N-{2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}cyclopropanecarboxamide
CID 16835723
N-{2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}cyclopentanecarboxamide
CID 16835748
N-(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide
CID 16835764
N-(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)pentanamide
CID 44010002
N-(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)propionamide
CID 44010028
2,3-Di(propan-2-yl)pyrido[1,2-a]pyrimidin-1-ium-4-one
CID 57822252
3-Amino-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741591
3-Amino-2-(1-methylpyrrolidin-3-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89741643
N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(13),5,9-trien-8-yl)butanamide
CID 166885956

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide (CID 44782843) is 3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide is CC(C)CC(=O)Nc1cnc2ccc(C(=O)N3CCCC3)cn2c1=O.
What is the InChIKey of 3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide?
The InChIKey is CPMQYOOPKGZBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(2)9-16(23)20-14-10-19-15-6-5-13(11-22(15)18(14)25)17(24)21-7-3-4-8-21/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,20,23).
What are the key properties of 3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide?
3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide has a molecular weight of 342.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide is sourced from PubChem (CID 44782843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).