N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide

C25H31N5O3 — CID 175637100

About N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 175637100) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide
• PubChem CID: 175637100
• Molecular Formula: C25H31N5O3
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.24
• IUPAC Name: N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide
• SMILES: CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@]2(C)c2ccc3c(c2)CCC(=O)N3)cnc1N
• InChI: InChI=1S/C25H31N5O3/c1-4-16-12-19(13-27-22(16)26)28-23(32)24(33)30-14-15(2)9-10-25(30,3)18-6-7-20-17(11-18)5-8-21(31)29-20/h6-7,11-13,15H,4-5,8-10,14H2,1-3H3,(H2,26,27)(H,28,32)(H,29,31)/t15-,25-/m0/s1
• InChIKey: PFIQQDKYLXTCDV-MQNRADLISA-N
• XLogP: 3.22
• TPSA: 117.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide (CID 175637100) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide.

What is the SMILES notation for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@]2(C)c2ccc3c(c2)CCC(=O)N3)cnc1N.

What is the InChIKey of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide?

The InChIKey is PFIQQDKYLXTCDV-MQNRADLISA-N. The full InChI is InChI=1S/C25H31N5O3/c1-4-16-12-19(13-27-22(16)26)28-23(32)24(33)30-14-15(2)9-10-25(30,3)18-6-7-20-17(11-18)5-8-21(31)29-20/h6-7,11-13,15H,4-5,8-10,14H2,1-3H3,(H2,26,27)(H,28,32)(H,29,31)/t15-,25-/m0/s1.

What are the key properties of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide?

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 449.56 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 175637100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).