N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide

C15H16N4O5 — CID 10958519

IUPACN-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1)c1ccncc1
InChIInChI=1S/C15H16N4O5/c20-8-11-10(21)7-13(24-11)19-6-3-12(18-15(19)23)17-14(22)9-1-4-16-5-2-9/h1-6,10-11,13,20-21H,7-8H2,(H,17,18,22,23)/t10-,11+,13+/m0/s1
InChIKeyLDEDBUAYTYOVNF-DMDPSCGWSA-N
MW332.32 g/mol
LogP-0.47
Rot. Bonds4

About N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide

N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide (PubChem CID 10958519) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide
PubChem CID10958519
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC NameN-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1)c1ccncc1
InChIInChI=1S/C15H16N4O5/c20-8-11-10(21)7-13(24-11)19-6-3-12(18-15(19)23)17-14(22)9-1-4-16-5-2-9/h1-6,10-11,13,20-21H,7-8H2,(H,17,18,22,23)/t10-,11+,13+/m0/s1
InChIKeyLDEDBUAYTYOVNF-DMDPSCGWSA-N
XLogP-0.47
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide (CID 10958519) is N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide is O=C(Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1)c1ccncc1.
What is the InChIKey of N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide?
The InChIKey is LDEDBUAYTYOVNF-DMDPSCGWSA-N. The full InChI is InChI=1S/C15H16N4O5/c20-8-11-10(21)7-13(24-11)19-6-3-12(18-15(19)23)17-14(22)9-1-4-16-5-2-9/h1-6,10-11,13,20-21H,7-8H2,(H,17,18,22,23)/t10-,11+,13+/m0/s1.
What are the key properties of N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide?
N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide has a molecular weight of 332.32 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 10958519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).