1-[7-(4-aminophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide

C26H33N7O2 — CID 58279494

About 1-[7-(4-aminophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide

1-[7-(4-aminophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 58279494) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 1-[7-(4-aminophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[7-(4-aminophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
• PubChem CID: 58279494
• Molecular Formula: C26H33N7O2
• Molecular Weight: 475.60 g/mol
• Exact Mass: 475.27
• IUPAC Name: 1-[7-(4-aminophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
• SMILES: C[C@H]1COCCN1c1nc(N2CCC(C(=O)N(C)C)CC2)nc2nc(-c3ccc(N)cc3)ccc12
• InChI: InChI=1S/C26H33N7O2/c1-17-16-35-15-14-33(17)24-21-8-9-22(18-4-6-20(27)7-5-18)28-23(21)29-26(30-24)32-12-10-19(11-13-32)25(34)31(2)3/h4-9,17,19H,10-16,27H2,1-3H3/t17-/m0/s1
• InChIKey: FAWAMLOQTICKOB-KRWDZBQOSA-N
• XLogP: 2.80
• TPSA: 100.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.60
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-aminophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?

The IUPAC name of 1-[7-(4-aminophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide (CID 58279494) is 1-[7-(4-aminophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[7-(4-aminophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?

The canonical SMILES for 1-[7-(4-aminophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide is C[C@H]1COCCN1c1nc(N2CCC(C(=O)N(C)C)CC2)nc2nc(-c3ccc(N)cc3)ccc12.

What is the InChIKey of 1-[7-(4-aminophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?

The InChIKey is FAWAMLOQTICKOB-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-17-16-35-15-14-33(17)24-21-8-9-22(18-4-6-20(27)7-5-18)28-23(21)29-26(30-24)32-12-10-19(11-13-32)25(34)31(2)3/h4-9,17,19H,10-16,27H2,1-3H3/t17-/m0/s1.

What are the key properties of 1-[7-(4-aminophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?

1-[7-(4-aminophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-(4-aminophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 58279494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).