methyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate

C16H21N3O4 — CID 148673251

IUPACmethyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCc1nc2ccc(NC(C)(C)C(=O)OC)cn2c(=O)c1OC
InChIInChI=1S/C16H21N3O4/c1-6-11-13(22-4)14(20)19-9-10(7-8-12(19)17-11)18-16(2,3)15(21)23-5/h7-9,18H,6H2,1-5H3
InChIKeyNQDDAKDACBTWHQ-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.63
Rot. Bonds5

About methyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate

methyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate (PubChem CID 148673251) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
PubChem CID148673251
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Namemethyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCc1nc2ccc(NC(C)(C)C(=O)OC)cn2c(=O)c1OC
InChIInChI=1S/C16H21N3O4/c1-6-11-13(22-4)14(20)19-9-10(7-8-12(19)17-11)18-16(2,3)15(21)23-5/h7-9,18H,6H2,1-5H3
InChIKeyNQDDAKDACBTWHQ-UHFFFAOYSA-N
XLogP1.63
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate (CID 148673251) is methyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate is CCc1nc2ccc(NC(C)(C)C(=O)OC)cn2c(=O)c1OC.
What is the InChIKey of methyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The InChIKey is NQDDAKDACBTWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-6-11-13(22-4)14(20)19-9-10(7-8-12(19)17-11)18-16(2,3)15(21)23-5/h7-9,18H,6H2,1-5H3.
What are the key properties of methyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
methyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate has a molecular weight of 319.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 148673251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).