N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C15H17N3O4S — CID 118789772

IUPACN-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)CC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H17N3O4S/c19-14(17-9-11-4-7-23(21,22)8-5-11)12-10-16-13-3-1-2-6-18(13)15(12)20/h1-3,6,10-11H,4-5,7-9H2,(H,17,19)
InChIKeyHXTGDOAQAVHXGN-UHFFFAOYSA-N
MW335.38 g/mol
LogP0.25
Rot. Bonds3

About N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 118789772) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID118789772
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC NameN-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)CC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H17N3O4S/c19-14(17-9-11-4-7-23(21,22)8-5-11)12-10-16-13-3-1-2-6-18(13)15(12)20/h1-3,6,10-11H,4-5,7-9H2,(H,17,19)
InChIKeyHXTGDOAQAVHXGN-UHFFFAOYSA-N
XLogP0.25
TPSA97.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120947785
N-[(1-hydroxycyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111459389
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94018219
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94018218
N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620977
(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
N-(2-methylsulfinylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110226043
4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614989
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120890519
4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 47019141

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 118789772) is N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCC1CCS(=O)(=O)CC1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HXTGDOAQAVHXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c19-14(17-9-11-4-7-23(21,22)8-5-11)12-10-16-13-3-1-2-6-18(13)15(12)20/h1-3,6,10-11H,4-5,7-9H2,(H,17,19).
What are the key properties of N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118789772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).