N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide

C25H25N3O5 — CID 5275937

IUPACN-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide
SMILESCCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4-c4ccccc43)O2)c(=O)[nH]c1=O
InChIInChI=1S/C25H25N3O5/c1-2-14-13-28(25(32)27-23(14)30)21-11-19(29)20(33-21)12-26-24(31)22-17-9-5-3-7-15(17)16-8-4-6-10-18(16)22/h3-10,13,19-22,29H,2,11-12H2,1H3,(H,26,31)(H,27,30,32)/t19-,20+,21+/m0/s1
InChIKeyVOTKYKWFOAKIKJ-PWRODBHTSA-N
MW447.49 g/mol
LogP1.68
Rot. Bonds5

About N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide

N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide (PubChem CID 5275937) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide
PubChem CID5275937
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide
SMILESCCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4-c4ccccc43)O2)c(=O)[nH]c1=O
InChIInChI=1S/C25H25N3O5/c1-2-14-13-28(25(32)27-23(14)30)21-11-19(29)20(33-21)12-26-24(31)22-17-9-5-3-7-15(17)16-8-4-6-10-18(16)22/h3-10,13,19-22,29H,2,11-12H2,1H3,(H,26,31)(H,27,30,32)/t19-,20+,21+/m0/s1
InChIKeyVOTKYKWFOAKIKJ-PWRODBHTSA-N
XLogP1.68
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide?
The IUPAC name of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide (CID 5275937) is N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide?
The canonical SMILES for N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide is CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4-c4ccccc43)O2)c(=O)[nH]c1=O.
What is the InChIKey of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide?
The InChIKey is VOTKYKWFOAKIKJ-PWRODBHTSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-2-14-13-28(25(32)27-23(14)30)21-11-19(29)20(33-21)12-26-24(31)22-17-9-5-3-7-15(17)16-8-4-6-10-18(16)22/h3-10,13,19-22,29H,2,11-12H2,1H3,(H,26,31)(H,27,30,32)/t19-,20+,21+/m0/s1.
What are the key properties of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide?
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-9H-fluorene-9-carboxamide is sourced from PubChem (CID 5275937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).