ethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate

C19H22N4O3 — CID 53147276

IUPACethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)N2CCc3nc(C)ncc3C2)cc1
InChIInChI=1S/C19H22N4O3/c1-3-26-18(24)10-14-4-6-16(7-5-14)22-19(25)23-9-8-17-15(12-23)11-20-13(2)21-17/h4-7,11H,3,8-10,12H2,1-2H3,(H,22,25)
InChIKeyJXGXKNKHEBCIQO-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.48
Rot. Bonds4

About ethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate

ethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate (PubChem CID 53147276) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate
PubChem CID53147276
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Nameethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)N2CCc3nc(C)ncc3C2)cc1
InChIInChI=1S/C19H22N4O3/c1-3-26-18(24)10-14-4-6-16(7-5-14)22-19(25)23-9-8-17-15(12-23)11-20-13(2)21-17/h4-7,11H,3,8-10,12H2,1-2H3,(H,22,25)
InChIKeyJXGXKNKHEBCIQO-UHFFFAOYSA-N
XLogP2.48
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate (CID 53147276) is ethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)N2CCc3nc(C)ncc3C2)cc1.
What is the InChIKey of ethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate?
The InChIKey is JXGXKNKHEBCIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-26-18(24)10-14-4-6-16(7-5-14)22-19(25)23-9-8-17-15(12-23)11-20-13(2)21-17/h4-7,11H,3,8-10,12H2,1-2H3,(H,22,25).
What are the key properties of ethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate?
ethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate has a molecular weight of 354.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate is sourced from PubChem (CID 53147276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).