methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

C14H15N3O6 — CID 143705017

IUPACmethyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)Nc1cc(C)cn2c(=O)c(O)c(C(=O)OC)nc12
InChIInChI=1S/C14H15N3O6/c1-4-23-14(21)15-8-5-7(2)6-17-11(8)16-9(13(20)22-3)10(18)12(17)19/h5-6,18H,4H2,1-3H3,(H,15,21)
InChIKeyYDXWUVHYSIYVSM-UHFFFAOYSA-N
MW321.29 g/mol
LogP1.06
Rot. Bonds3

About methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 143705017) has the molecular formula C14H15N3O6 and a molecular weight of 321.29 g/mol. Its IUPAC name is methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID143705017
Molecular FormulaC14H15N3O6
Molecular Weight321.29 g/mol
Exact Mass321.10
IUPAC Namemethyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)Nc1cc(C)cn2c(=O)c(O)c(C(=O)OC)nc12
InChIInChI=1S/C14H15N3O6/c1-4-23-14(21)15-8-5-7(2)6-17-11(8)16-9(13(20)22-3)10(18)12(17)19/h5-6,18H,4H2,1-3H3,(H,15,21)
InChIKeyYDXWUVHYSIYVSM-UHFFFAOYSA-N
XLogP1.06
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl N-[2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidin-9-yl]carbamate
CID 58101034
methyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 143705029
methyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101054
methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101028
methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate
CID 139715315
methyl 3-(ethoxycarbonylamino)-4-methylbenzoate
CID 3309818
ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 102371943
methyl 3-(ethoxycarbonylamino)-2-methylbenzoate
CID 60731584
ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
CID 51056605
methyl 6-(ethoxycarbonylamino)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylbenzoate
CID 15283183
ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 102144487
ethyl N-(5-ethyl-2-methylphenyl)carbamate
CID 110604053

Frequently Asked Questions

What is the IUPAC name of methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (CID 143705017) is methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)Nc1cc(C)cn2c(=O)c(O)c(C(=O)OC)nc12.
What is the InChIKey of methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is YDXWUVHYSIYVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6/c1-4-23-14(21)15-8-5-7(2)6-17-11(8)16-9(13(20)22-3)10(18)12(17)19/h5-6,18H,4H2,1-3H3,(H,15,21).
What are the key properties of methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 321.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 143705017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).