N-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide

C15H17N5O3 — CID 135248281

IUPACN-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESNc1ccn(C2CCC(CNC(=O)c3ccncc3)O2)c(=O)n1
InChIInChI=1S/C15H17N5O3/c16-12-5-8-20(15(22)19-12)13-2-1-11(23-13)9-18-14(21)10-3-6-17-7-4-10/h3-8,11,13H,1-2,9H2,(H,18,21)(H2,16,19,22)
InChIKeyZMAZTPPAZKRHCG-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.33
Rot. Bonds4

About N-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide

N-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 135248281) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide
PubChem CID135248281
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESNc1ccn(C2CCC(CNC(=O)c3ccncc3)O2)c(=O)n1
InChIInChI=1S/C15H17N5O3/c16-12-5-8-20(15(22)19-12)13-2-1-11(23-13)9-18-14(21)10-3-6-17-7-4-10/h3-8,11,13H,1-2,9H2,(H,18,21)(H2,16,19,22)
InChIKeyZMAZTPPAZKRHCG-UHFFFAOYSA-N
XLogP0.33
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 166811766
4-amino-1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidin-2-one
CID 23261046
4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one
CID 142117937
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]oxymethylphosphonic acid
CID 24763733
4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70382786
[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate;azane
CID 51051540
[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 129117968
[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxymethyl-ethoxyphosphinic acid
CID 14755650
N-[1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 678698
N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]pyridine-4-carboxamide
CID 110710356

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide (CID 135248281) is N-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide is Nc1ccn(C2CCC(CNC(=O)c3ccncc3)O2)c(=O)n1.
What is the InChIKey of N-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is ZMAZTPPAZKRHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c16-12-5-8-20(15(22)19-12)13-2-1-11(23-13)9-18-14(21)10-3-6-17-7-4-10/h3-8,11,13H,1-2,9H2,(H,18,21)(H2,16,19,22).
What are the key properties of N-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide?
N-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 135248281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).