5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid

C20H15N5O3 — CID 170220230

IUPAC5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid
SMILESCCn1cnc2c(-c3cccnc3)nc(-c3ccc(C(=O)O)nc3)cc2c1=O
InChIInChI=1S/C20H15N5O3/c1-2-25-11-23-18-14(19(25)26)8-16(12-5-6-15(20(27)28)22-10-12)24-17(18)13-4-3-7-21-9-13/h3-11H,2H2,1H3,(H,27,28)
InChIKeyPXNKLKOEEMTXFD-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.63
Rot. Bonds4

About 5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid

5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid (PubChem CID 170220230) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid
PubChem CID170220230
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid
SMILESCCn1cnc2c(-c3cccnc3)nc(-c3ccc(C(=O)O)nc3)cc2c1=O
InChIInChI=1S/C20H15N5O3/c1-2-25-11-23-18-14(19(25)26)8-16(12-5-6-15(20(27)28)22-10-12)24-17(18)13-4-3-7-21-9-13/h3-11H,2H2,1H3,(H,27,28)
InChIKeyPXNKLKOEEMTXFD-UHFFFAOYSA-N
XLogP2.63
TPSA110.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid with MolForge

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Related Compounds

6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol
CID 156743150
8-pyridin-3-yl-6-[6-(trichloromethyl)-3-pyridinyl]-3-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrido[3,4-d]pyrimidin-4-one
CID 166514518
3-ethyl-6-[4-(trifluoromethyl)phenyl]-8-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-d]pyrimidin-4-one
CID 170219523
8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one
CID 156891887
N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide
CID 156891918
3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one
CID 156891932
6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid
CID 165478239
3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one
CID 166803697
3-(2-hydroxy-2-methylpropyl)-8-(1-methylpyrazol-4-yl)-6-(6-methyl-3-pyridinyl)pyrido[3,4-d]pyrimidin-4-one
CID 170214984
5-methyl-6-pyridin-3-ylpyridine-2-carboxylic acid
CID 140658207
8-(1-methylpyrazol-4-yl)-6-(6-methyl-3-pyridinyl)-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrido[3,4-d]pyrimidin-4-one
CID 170215002
3-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one
CID 156891923

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid (CID 170220230) is 5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid is CCn1cnc2c(-c3cccnc3)nc(-c3ccc(C(=O)O)nc3)cc2c1=O.
What is the InChIKey of 5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid?
The InChIKey is PXNKLKOEEMTXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-2-25-11-23-18-14(19(25)26)8-16(12-5-6-15(20(27)28)22-10-12)24-17(18)13-4-3-7-21-9-13/h3-11H,2H2,1H3,(H,27,28).
What are the key properties of 5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid?
5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid has a molecular weight of 373.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 170220230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).