N-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H19N3O5 — CID 91787732

IUPACN-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C16H19N3O5/c1-2-24-13-9-23-7-5-11(13)18-15(21)10-8-17-14-12(20)4-3-6-19(14)16(10)22/h3-4,6,8,11,13,20H,2,5,7,9H2,1H3,(H,18,21)/t11-,13-/m1/s1
InChIKeyZRVABSHPSVZZOG-DGCLKSJQSA-N
MW333.34 g/mol
LogP0.32
Rot. Bonds4

About N-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 91787732) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID91787732
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C16H19N3O5/c1-2-24-13-9-23-7-5-11(13)18-15(21)10-8-17-14-12(20)4-3-6-19(14)16(10)22/h3-4,6,8,11,13,20H,2,5,7,9H2,1H3,(H,18,21)/t11-,13-/m1/s1
InChIKeyZRVABSHPSVZZOG-DGCLKSJQSA-N
XLogP0.32
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 91787732) is N-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCO[C@@H]1COCC[C@H]1NC(=O)c1cnc2c(O)cccn2c1=O.
What is the InChIKey of N-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ZRVABSHPSVZZOG-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-2-24-13-9-23-7-5-11(13)18-15(21)10-8-17-14-12(20)4-3-6-19(14)16(10)22/h3-4,6,8,11,13,20H,2,5,7,9H2,1H3,(H,18,21)/t11-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-ethoxyoxan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91787732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).