N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H20N4O5 — CID 91786083

IUPACN-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)N[C@@H]3CCOC[C@H]3OCC(N)=O)c(=O)n12
InChIInChI=1S/C17H20N4O5/c1-10-3-2-4-15-19-7-11(17(24)21(10)15)16(23)20-12-5-6-25-8-13(12)26-9-14(18)22/h2-4,7,12-13H,5-6,8-9H2,1H3,(H2,18,22)(H,20,23)/t12-,13-/m1/s1
InChIKeyUCHMPCIDVMUKKQ-CHWSQXEVSA-N
MW360.37 g/mol
LogP-0.61
Rot. Bonds5

About N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 91786083) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID91786083
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC NameN-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)N[C@@H]3CCOC[C@H]3OCC(N)=O)c(=O)n12
InChIInChI=1S/C17H20N4O5/c1-10-3-2-4-15-19-7-11(17(24)21(10)15)16(23)20-12-5-6-25-8-13(12)26-9-14(18)22/h2-4,7,12-13H,5-6,8-9H2,1H3,(H2,18,22)(H,20,23)/t12-,13-/m1/s1
InChIKeyUCHMPCIDVMUKKQ-CHWSQXEVSA-N
XLogP-0.61
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 5-0.61
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-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 91786083) is N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)N[C@@H]3CCOC[C@H]3OCC(N)=O)c(=O)n12.
What is the InChIKey of N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UCHMPCIDVMUKKQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-10-3-2-4-15-19-7-11(17(24)21(10)15)16(23)20-12-5-6-25-8-13(12)26-9-14(18)22/h2-4,7,12-13H,5-6,8-9H2,1H3,(H2,18,22)(H,20,23)/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 360.37 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91786083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).