(2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide

C19H22N4O7 — CID 51361681

IUPAC(2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)c1C
InChIInChI=1S/C19H22N4O7/c1-9-4-3-5-11(10(9)2)21-13(25)8-20-17(28)16-14(26)15(27)18(30-16)23-7-6-12(24)22-19(23)29/h3-7,14-16,18,26-27H,8H2,1-2H3,(H,20,28)(H,21,25)(H,22,24,29)/t14-,15+,16-,18+/m0/s1
InChIKeyGCUWWERQXSNSML-UIBIWLFHSA-N
MW418.41 g/mol
LogP-1.47
Rot. Bonds5

About (2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide

(2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide (PubChem CID 51361681) has the molecular formula C19H22N4O7 and a molecular weight of 418.41 g/mol. Its IUPAC name is (2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
PubChem CID51361681
Molecular FormulaC19H22N4O7
Molecular Weight418.41 g/mol
Exact Mass418.15
IUPAC Name(2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)c1C
InChIInChI=1S/C19H22N4O7/c1-9-4-3-5-11(10(9)2)21-13(25)8-20-17(28)16-14(26)15(27)18(30-16)23-7-6-12(24)22-19(23)29/h3-7,14-16,18,26-27H,8H2,1-2H3,(H,20,28)(H,21,25)(H,22,24,29)/t14-,15+,16-,18+/m0/s1
InChIKeyGCUWWERQXSNSML-UIBIWLFHSA-N
XLogP-1.47
TPSA162.75 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 5-1.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Psb-6426
CID 24949079
(2S,3S,4R,5R)-N-[3-[4-(diethoxyphosphorylmethyl)anilino]-3-oxopropyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
CID 24949080
(2S,3S,4R,5R)-N-[4-[4-(diethoxyphosphorylmethyl)anilino]-4-oxobutyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
CID 24949081
(2S)-N-(3,4-dimethylphenyl)-2-[3-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]propanoylamino]-3-phenylpropanamide
CID 51361637
(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]oxolane-2-carboxamide
CID 51361669
1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]-3-(2-phenylphenyl)urea
CID 71462566
3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-[nitroso(phenylcarbamoyl)amino]ethyl]oxolane-2-carboxamide
CID 13942208
(2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
CID 51361655
(2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
CID 51361668
(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide
CID 51361695
1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]-3-(1-naphthyl)urea
CID 71453691
1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]-3-(2-phenylphenyl)urea
CID 71459054

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
The IUPAC name of (2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide (CID 51361681) is (2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide.
What is the SMILES notation for (2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
The canonical SMILES for (2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide is Cc1cccc(NC(=O)CNC(=O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)c1C.
What is the InChIKey of (2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
The InChIKey is GCUWWERQXSNSML-UIBIWLFHSA-N. The full InChI is InChI=1S/C19H22N4O7/c1-9-4-3-5-11(10(9)2)21-13(25)8-20-17(28)16-14(26)15(27)18(30-16)23-7-6-12(24)22-19(23)29/h3-7,14-16,18,26-27H,8H2,1-2H3,(H,20,28)(H,21,25)(H,22,24,29)/t14-,15+,16-,18+/m0/s1.
What are the key properties of (2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
(2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide has a molecular weight of 418.41 g/mol, XLogP of -1.47, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide is sourced from PubChem (CID 51361681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).