N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]naphthalene-2-carboxamide

C22H23N3O5 — CID 57193312

IUPACN-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]naphthalene-2-carboxamide
SMILESCCc1cn([C@@H]2CC(O)[C@H](CNC(=O)c3ccc4ccccc4c3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C22H23N3O5/c1-2-13-12-25(22(29)24-21(13)28)19-10-17(26)18(30-19)11-23-20(27)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,12,17-19,26H,2,10-11H2,1H3,(H,23,27)(H,24,28,29)/t17?,18-,19-/m0/s1
InChIKeyKRWVBMDMVSVFTM-MNNMKWMVSA-N
MW409.44 g/mol
LogP1.33
Rot. Bonds5

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

N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]naphthalene-2-carboxamide (PubChem CID 57193312) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]naphthalene-2-carboxamide
PubChem CID57193312
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]naphthalene-2-carboxamide
SMILESCCc1cn([C@@H]2CC(O)[C@H](CNC(=O)c3ccc4ccccc4c3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C22H23N3O5/c1-2-13-12-25(22(29)24-21(13)28)19-10-17(26)18(30-19)11-23-20(27)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,12,17-19,26H,2,10-11H2,1H3,(H,23,27)(H,24,28,29)/t17?,18-,19-/m0/s1
InChIKeyKRWVBMDMVSVFTM-MNNMKWMVSA-N
XLogP1.33
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]naphthalene-2-carboxamide (CID 57193312) is N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]naphthalene-2-carboxamide is CCc1cn([C@@H]2CC(O)[C@H](CNC(=O)c3ccc4ccccc4c3)O2)c(=O)[nH]c1=O.
What is the InChIKey of N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]naphthalene-2-carboxamide?
The InChIKey is KRWVBMDMVSVFTM-MNNMKWMVSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-2-13-12-25(22(29)24-21(13)28)19-10-17(26)18(30-19)11-23-20(27)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,12,17-19,26H,2,10-11H2,1H3,(H,23,27)(H,24,28,29)/t17?,18-,19-/m0/s1.
What are the key properties of N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]naphthalene-2-carboxamide?
N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]naphthalene-2-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 57193312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).