5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide

C19H18N4O4 — CID 137037001

IUPAC5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESCOC(CNC(=O)c1nc(-c2ccccn2)[nH]c(=O)c1O)c1ccccc1
InChIInChI=1S/C19H18N4O4/c1-27-14(12-7-3-2-4-8-12)11-21-18(25)15-16(24)19(26)23-17(22-15)13-9-5-6-10-20-13/h2-10,14,24H,11H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyCKCRMIMYKJYVMR-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.65
Rot. Bonds6

About 5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide

5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 137037001) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID137037001
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESCOC(CNC(=O)c1nc(-c2ccccn2)[nH]c(=O)c1O)c1ccccc1
InChIInChI=1S/C19H18N4O4/c1-27-14(12-7-3-2-4-8-12)11-21-18(25)15-16(24)19(26)23-17(22-15)13-9-5-6-10-20-13/h2-10,14,24H,11H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyCKCRMIMYKJYVMR-UHFFFAOYSA-N
XLogP1.65
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (CID 137037001) is 5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is COC(CNC(=O)c1nc(-c2ccccn2)[nH]c(=O)c1O)c1ccccc1.
What is the InChIKey of 5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is CKCRMIMYKJYVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-27-14(12-7-3-2-4-8-12)11-21-18(25)15-16(24)19(26)23-17(22-15)13-9-5-6-10-20-13/h2-10,14,24H,11H2,1H3,(H,21,25)(H,22,23,26).
What are the key properties of 5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137037001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).