2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid

C15H16N4O2 — CID 114742965

IUPAC2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
SMILESCCc1cnccc1-c1nc2c(c(C(=O)O)n1)CCNC2
InChIInChI=1S/C15H16N4O2/c1-2-9-7-16-5-3-10(9)14-18-12-8-17-6-4-11(12)13(19-14)15(20)21/h3,5,7,17H,2,4,6,8H2,1H3,(H,20,21)
InChIKeyPWVBEFSEODMIMR-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.44
Rot. Bonds3

About 2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid

2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid (PubChem CID 114742965) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
PubChem CID114742965
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
SMILESCCc1cnccc1-c1nc2c(c(C(=O)O)n1)CCNC2
InChIInChI=1S/C15H16N4O2/c1-2-9-7-16-5-3-10(9)14-18-12-8-17-6-4-11(12)13(19-14)15(20)21/h3,5,7,17H,2,4,6,8H2,1H3,(H,20,21)
InChIKeyPWVBEFSEODMIMR-UHFFFAOYSA-N
XLogP1.44
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743090
5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid
CID 106511963
2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743078
2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742718
2-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743002
2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743063
2-(3-ethyl-4-pyridinyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190776
2-(1-methoxybutyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743065
2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid
CID 114738851
2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743108
2-(3-ethyl-4-pyridinyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193388
2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114742936

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid (CID 114742965) is 2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid is CCc1cnccc1-c1nc2c(c(C(=O)O)n1)CCNC2.
What is the InChIKey of 2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
The InChIKey is PWVBEFSEODMIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-9-7-16-5-3-10(9)14-18-12-8-17-6-4-11(12)13(19-14)15(20)21/h3,5,7,17H,2,4,6,8H2,1H3,(H,20,21).
What are the key properties of 2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 114742965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).