N-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide

C20H22FN3O6 — CID 144710745

IUPACN-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide
SMILESCC1(F)C(n2ccc(NC(=O)c3cccc4c3OCCC4)nc2=O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C20H22FN3O6/c1-20(21)16(26)13(10-25)30-18(20)24-8-7-14(23-19(24)28)22-17(27)12-6-2-4-11-5-3-9-29-15(11)12/h2,4,6-8,13,16,18,25-26H,3,5,9-10H2,1H3,(H,22,23,27,28)/t13-,16-,18?,20?/m1/s1
InChIKeyYUIYSCFXAQVPAF-SWXFZSSGSA-N
MW419.41 g/mol
LogP0.80
Rot. Bonds4

About N-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide

N-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide (PubChem CID 144710745) has the molecular formula C20H22FN3O6 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide.

Molecular Properties

Compound NameN-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide
PubChem CID144710745
Molecular FormulaC20H22FN3O6
Molecular Weight419.41 g/mol
Exact Mass419.15
IUPAC NameN-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide
SMILESCC1(F)C(n2ccc(NC(=O)c3cccc4c3OCCC4)nc2=O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C20H22FN3O6/c1-20(21)16(26)13(10-25)30-18(20)24-8-7-14(23-19(24)28)22-17(27)12-6-2-4-11-5-3-9-29-15(11)12/h2,4,6-8,13,16,18,25-26H,3,5,9-10H2,1H3,(H,22,23,27,28)/t13-,16-,18?,20?/m1/s1
InChIKeyYUIYSCFXAQVPAF-SWXFZSSGSA-N
XLogP0.80
TPSA122.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide?
The IUPAC name of N-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide (CID 144710745) is N-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide.
What is the SMILES notation for N-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide?
The canonical SMILES for N-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide is CC1(F)C(n2ccc(NC(=O)c3cccc4c3OCCC4)nc2=O)O[C@H](CO)[C@H]1O.
What is the InChIKey of N-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide?
The InChIKey is YUIYSCFXAQVPAF-SWXFZSSGSA-N. The full InChI is InChI=1S/C20H22FN3O6/c1-20(21)16(26)13(10-25)30-18(20)24-8-7-14(23-19(24)28)22-17(27)12-6-2-4-11-5-3-9-29-15(11)12/h2,4,6-8,13,16,18,25-26H,3,5,9-10H2,1H3,(H,22,23,27,28)/t13-,16-,18?,20?/m1/s1.
What are the key properties of N-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide?
N-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide is sourced from PubChem (CID 144710745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).