ethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate

C16H14N4O2 — CID 56689510

IUPACethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate
SMILESCCOC(=O)c1ccccc1Nc1ncnc2ncccc12
InChIInChI=1S/C16H14N4O2/c1-2-22-16(21)11-6-3-4-8-13(11)20-15-12-7-5-9-17-14(12)18-10-19-15/h3-10H,2H2,1H3,(H,17,18,19,20)
InChIKeyGCZCYCWIVSLDEZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.95
Rot. Bonds4

About ethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate

ethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate (PubChem CID 56689510) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate
PubChem CID56689510
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Nameethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate
SMILESCCOC(=O)c1ccccc1Nc1ncnc2ncccc12
InChIInChI=1S/C16H14N4O2/c1-2-22-16(21)11-6-3-4-8-13(11)20-15-12-7-5-9-17-14(12)18-10-19-15/h3-10H,2H2,1H3,(H,17,18,19,20)
InChIKeyGCZCYCWIVSLDEZ-UHFFFAOYSA-N
XLogP2.95
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[5-amino-6-(2-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 19147874
ethyl 2-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoate
CID 22537681
ethyl 2-[[5-amino-6-(ethylamino)pyrimidin-4-yl]amino]benzoate
CID 19135337
ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate
CID 123452552
ethyl 2-[[5-amino-6-(2-chloroanilino)pyrimidin-4-yl]amino]benzoate
CID 19147988
ethyl 2-[[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]benzoate
CID 22545282
ethyl 2-[[5-amino-6-(2,2-diphenylhydrazinyl)pyrimidin-4-yl]amino]benzoate
CID 19146679
ethyl 2-[[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]amino]benzoate
CID 19149867
ethyl 2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 19153895
methyl 2-[[6-(2-ethoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate
CID 112866797
ethyl 2-[[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19140401
ethyl 2-[[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 22546738

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate?
The IUPAC name of ethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate (CID 56689510) is ethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate.
What is the SMILES notation for ethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate?
The canonical SMILES for ethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate is CCOC(=O)c1ccccc1Nc1ncnc2ncccc12.
What is the InChIKey of ethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate?
The InChIKey is GCZCYCWIVSLDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-2-22-16(21)11-6-3-4-8-13(11)20-15-12-7-5-9-17-14(12)18-10-19-15/h3-10H,2H2,1H3,(H,17,18,19,20).
What are the key properties of ethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate?
ethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate has a molecular weight of 294.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate is sourced from PubChem (CID 56689510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).