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

C18H22N4O5 — CID 91797485

IUPACN-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C18H22N4O5/c1-21(2)16(23)11-27-14-10-26-8-6-13(14)20-17(24)12-9-19-15-5-3-4-7-22(15)18(12)25/h3-5,7,9,13-14H,6,8,10-11H2,1-2H3,(H,20,24)/t13-,14-/m1/s1
InChIKeyHEOXWINMFSZWBM-ZIAGYGMSSA-N
MW374.40 g/mol
LogP-0.31
Rot. Bonds5

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

N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 91797485) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID91797485
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC NameN-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C18H22N4O5/c1-21(2)16(23)11-27-14-10-26-8-6-13(14)20-17(24)12-9-19-15-5-3-4-7-22(15)18(12)25/h3-5,7,9,13-14H,6,8,10-11H2,1-2H3,(H,20,24)/t13-,14-/m1/s1
InChIKeyHEOXWINMFSZWBM-ZIAGYGMSSA-N
XLogP-0.31
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 91797485) is N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HEOXWINMFSZWBM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-21(2)16(23)11-27-14-10-26-8-6-13(14)20-17(24)12-9-19-15-5-3-4-7-22(15)18(12)25/h3-5,7,9,13-14H,6,8,10-11H2,1-2H3,(H,20,24)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91797485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).