N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide

C17H18FN3O5 — CID 54177062

IUPACN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nc(=O)n([C@@H]3O[C@H](C)[C@@H](O)[C@H]3O)cc2F)c1
InChIInChI=1S/C17H18FN3O5/c1-8-4-3-5-10(6-8)15(24)19-14-11(18)7-21(17(25)20-14)16-13(23)12(22)9(2)26-16/h3-7,9,12-13,16,22-23H,1-2H3,(H,19,20,24,25)/t9-,12-,13-,16-/m1/s1
InChIKeyOZDBKYFQQFWHQO-RVXWVPLUSA-N
MW363.35 g/mol
LogP0.58
Rot. Bonds3

About N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide

N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide (PubChem CID 54177062) has the molecular formula C17H18FN3O5 and a molecular weight of 363.35 g/mol. Its IUPAC name is N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide
PubChem CID54177062
Molecular FormulaC17H18FN3O5
Molecular Weight363.35 g/mol
Exact Mass363.12
IUPAC NameN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nc(=O)n([C@@H]3O[C@H](C)[C@@H](O)[C@H]3O)cc2F)c1
InChIInChI=1S/C17H18FN3O5/c1-8-4-3-5-10(6-8)15(24)19-14-11(18)7-21(17(25)20-14)16-13(23)12(22)9(2)26-16/h3-7,9,12-13,16,22-23H,1-2H3,(H,19,20,24,25)/t9-,12-,13-,16-/m1/s1
InChIKeyOZDBKYFQQFWHQO-RVXWVPLUSA-N
XLogP0.58
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 16745944
N4-benzoyl-2',3'-dideoxycytidine
CID 678696
Acetic acid [5-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-2-hydroxymethyltetrahydrofuran-3-yl] ester
CID 3290093
1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one
CID 24813007
1-(2,3-dideoxy-3-fluoro-beta-D-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one
CID 44126826
Nucleoside, A6
CID 71463369
[[(2R,3S,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 155540535
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 162644578
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]naphthalene-2-carboxamide
CID 162644699
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 162646936
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 162647617
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-ethylbenzamide
CID 162663628

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide (CID 54177062) is N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2nc(=O)n([C@@H]3O[C@H](C)[C@@H](O)[C@H]3O)cc2F)c1.
What is the InChIKey of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide?
The InChIKey is OZDBKYFQQFWHQO-RVXWVPLUSA-N. The full InChI is InChI=1S/C17H18FN3O5/c1-8-4-3-5-10(6-8)15(24)19-14-11(18)7-21(17(25)20-14)16-13(23)12(22)9(2)26-16/h3-7,9,12-13,16,22-23H,1-2H3,(H,19,20,24,25)/t9-,12-,13-,16-/m1/s1.
What are the key properties of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide?
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide has a molecular weight of 363.35 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide is sourced from PubChem (CID 54177062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).