(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate

C16H13N3O3 — CID 7678760

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate
SMILESCc1ccc2nc(COC(=O)c3ccccn3)cc(=O)n2c1
InChIInChI=1S/C16H13N3O3/c1-11-5-6-14-18-12(8-15(20)19(14)9-11)10-22-16(21)13-4-2-3-7-17-13/h2-9H,10H2,1H3
InChIKeyIRMMFYLHEKHEGM-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.75
Rot. Bonds3

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate (PubChem CID 7678760) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate
PubChem CID7678760
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate
SMILESCc1ccc2nc(COC(=O)c3ccccn3)cc(=O)n2c1
InChIInChI=1S/C16H13N3O3/c1-11-5-6-14-18-12(8-15(20)19(14)9-11)10-22-16(21)13-4-2-3-7-17-13/h2-9H,10H2,1H3
InChIKeyIRMMFYLHEKHEGM-UHFFFAOYSA-N
XLogP1.75
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyrazine-2-carboxylate
CID 7679149
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 8536770
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1H-indole-2-carboxylate
CID 7681418
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-aminobenzoate
CID 7494667
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-3-methylbenzoate
CID 7679547
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenylacetate
CID 7542151
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-6-oxopyridazine-3-carboxylate
CID 78789177
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,5-dimethylthiophene-3-carboxylate
CID 8878188
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-tert-butyl-5-propan-2-ylpyrazole-3-carboxylate
CID 51117628
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(phenylcarbamoylamino)benzoate
CID 55505157
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(methoxymethyl)benzoate
CID 7680253
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,5-dichlorobenzoate
CID 7679283

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate (CID 7678760) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate is Cc1ccc2nc(COC(=O)c3ccccn3)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate?
The InChIKey is IRMMFYLHEKHEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-11-5-6-14-18-12(8-15(20)19(14)9-11)10-22-16(21)13-4-2-3-7-17-13/h2-9H,10H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate has a molecular weight of 295.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate is sourced from PubChem (CID 7678760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).