4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

C19H21ClN6O3 — CID 17228965

About 4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 17228965) has the molecular formula C19H21ClN6O3 and a molecular weight of 416.87 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 17228965
• Molecular Formula: C19H21ClN6O3
• Molecular Weight: 416.87 g/mol
• Exact Mass: 416.14
• IUPAC Name: 4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
• SMILES: Cc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(N3CCOCC3)nc(N)c21
• InChI: InChI=1S/C19H21ClN6O3/c1-10-2-3-11(20)8-13(10)22-18(28)12-9-14(27)23-17-15(12)16(21)24-19(25-17)26-4-6-29-7-5-26/h2-3,8,12H,4-7,9H2,1H3,(H,22,28)(H3,21,23,24,25,27)
• InChIKey: RNSRJBTVEMIQKG-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 122.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.87
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of 4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (CID 17228965) is 4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for 4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for 4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(N3CCOCC3)nc(N)c21.

What is the InChIKey of 4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is RNSRJBTVEMIQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O3/c1-10-2-3-11(20)8-13(10)22-18(28)12-9-14(27)23-17-15(12)16(21)24-19(25-17)26-4-6-29-7-5-26/h2-3,8,12H,4-7,9H2,1H3,(H,22,28)(H3,21,23,24,25,27).

What are the key properties of 4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?

4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 416.87 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 17228965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).