2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide

C26H27N7O2 — CID 11561848

IUPAC2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCNCCNC(=O)c1nc2nc(Nc3cccc(NC(C)=O)c3)ncc2cc1-c1ccccc1C
InChIInChI=1S/C26H27N7O2/c1-16-7-4-5-10-21(16)22-13-18-15-29-26(31-20-9-6-8-19(14-20)30-17(2)34)33-24(18)32-23(22)25(35)28-12-11-27-3/h4-10,13-15,27H,11-12H2,1-3H3,(H,28,35)(H,30,34)(H,29,31,32,33)
InChIKeyQUMGKQBBESLHQJ-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.65
Rot. Bonds8

About 2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide

2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 11561848) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID11561848
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCNCCNC(=O)c1nc2nc(Nc3cccc(NC(C)=O)c3)ncc2cc1-c1ccccc1C
InChIInChI=1S/C26H27N7O2/c1-16-7-4-5-10-21(16)22-13-18-15-29-26(31-20-9-6-8-19(14-20)30-17(2)34)33-24(18)32-23(22)25(35)28-12-11-27-3/h4-10,13-15,27H,11-12H2,1-3H3,(H,28,35)(H,30,34)(H,29,31,32,33)
InChIKeyQUMGKQBBESLHQJ-UHFFFAOYSA-N
XLogP3.65
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide (CID 11561848) is 2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide is CNCCNC(=O)c1nc2nc(Nc3cccc(NC(C)=O)c3)ncc2cc1-c1ccccc1C.
What is the InChIKey of 2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is QUMGKQBBESLHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-16-7-4-5-10-21(16)22-13-18-15-29-26(31-20-9-6-8-19(14-20)30-17(2)34)33-24(18)32-23(22)25(35)28-12-11-27-3/h4-10,13-15,27H,11-12H2,1-3H3,(H,28,35)(H,30,34)(H,29,31,32,33).
What are the key properties of 2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 3.65, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-[2-(methylamino)ethyl]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 11561848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).