4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide

C23H23N3O2 — CID 95711538

About 4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide

4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 95711538) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
• PubChem CID: 95711538
• Molecular Formula: C23H23N3O2
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.18
• IUPAC Name: 4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(C(=O)N[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)cn1
• InChI: InChI=1S/C23H23N3O2/c1-15-10-16(2)24-12-21(15)23(28)25-19-11-22(27)26(14-19)13-18-8-5-7-17-6-3-4-9-20(17)18/h3-10,12,19H,11,13-14H2,1-2H3,(H,25,28)/t19-/m0/s1
• InChIKey: QRTBMRQNEFEPRV-IBGZPJMESA-N
• XLogP: 3.38
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?

The IUPAC name of 4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (CID 95711538) is 4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for 4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for 4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is Cc1cc(C)c(C(=O)N[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)cn1.

What is the InChIKey of 4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?

The InChIKey is QRTBMRQNEFEPRV-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15-10-16(2)24-12-21(15)23(28)25-19-11-22(27)26(14-19)13-18-8-5-7-17-6-3-4-9-20(17)18/h3-10,12,19H,11,13-14H2,1-2H3,(H,25,28)/t19-/m0/s1.

What are the key properties of 4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?

4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95711538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).