dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate

C23H26N6O6 — CID 17036181

IUPACdimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)cc(C(=O)OC)c1
InChIInChI=1S/C23H26N6O6/c1-34-21(32)12-8-13(22(33)35-2)10-14(9-12)25-20(31)15-11-16(30)26-19-17(15)18(24)27-23(28-19)29-6-4-3-5-7-29/h8-10,15H,3-7,11H2,1-2H3,(H,25,31)(H3,24,26,27,28,30)
InChIKeyYNHSLJCEIJCACZ-UHFFFAOYSA-N
MW482.50 g/mol
LogP1.69
Rot. Bonds5

About dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate (PubChem CID 17036181) has the molecular formula C23H26N6O6 and a molecular weight of 482.50 g/mol. Its IUPAC name is dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate
PubChem CID17036181
Molecular FormulaC23H26N6O6
Molecular Weight482.50 g/mol
Exact Mass482.19
IUPAC Namedimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)cc(C(=O)OC)c1
InChIInChI=1S/C23H26N6O6/c1-34-21(32)12-8-13(22(33)35-2)10-14(9-12)25-20(31)15-11-16(30)26-19-17(15)18(24)27-23(28-19)29-6-4-3-5-7-29/h8-10,15H,3-7,11H2,1-2H3,(H,25,31)(H3,24,26,27,28,30)
InChIKeyYNHSLJCEIJCACZ-UHFFFAOYSA-N
XLogP1.69
TPSA165.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate (CID 17036181) is dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is YNHSLJCEIJCACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O6/c1-34-21(32)12-8-13(22(33)35-2)10-14(9-12)25-20(31)15-11-16(30)26-19-17(15)18(24)27-23(28-19)29-6-4-3-5-7-29/h8-10,15H,3-7,11H2,1-2H3,(H,25,31)(H3,24,26,27,28,30).
What are the key properties of dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 482.50 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 17036181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).