N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide

C16H18N4O5 — CID 46903758

IUPACN-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)c3ccccn3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C16H18N4O5/c1-9-8-20(16(24)19-14(9)22)13-6-11(21)12(25-13)7-18-15(23)10-4-2-3-5-17-10/h2-5,8,11-13,21H,6-7H2,1H3,(H,18,23)(H,19,22,24)/t11-,12+,13+/m0/s1
InChIKeyGIQHMXWCAFWCRV-YNEHKIRRSA-N
MW346.34 g/mol
LogP-0.68
Rot. Bonds4

About N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide

N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 46903758) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide
PubChem CID46903758
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC NameN-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)c3ccccn3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C16H18N4O5/c1-9-8-20(16(24)19-14(9)22)13-6-11(21)12(25-13)7-18-15(23)10-4-2-3-5-17-10/h2-5,8,11-13,21H,6-7H2,1H3,(H,18,23)(H,19,22,24)/t11-,12+,13+/m0/s1
InChIKeyGIQHMXWCAFWCRV-YNEHKIRRSA-N
XLogP-0.68
TPSA126.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-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

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide (CID 46903758) is N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide is Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)c3ccccn3)O2)c(=O)[nH]c1=O.
What is the InChIKey of N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is GIQHMXWCAFWCRV-YNEHKIRRSA-N. The full InChI is InChI=1S/C16H18N4O5/c1-9-8-20(16(24)19-14(9)22)13-6-11(21)12(25-13)7-18-15(23)10-4-2-3-5-17-10/h2-5,8,11-13,21H,6-7H2,1H3,(H,18,23)(H,19,22,24)/t11-,12+,13+/m0/s1.
What are the key properties of N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide?
N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 346.34 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 46903758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).