N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide

C28H29N5O3 — CID 15995914

About N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide

N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 15995914) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 15995914
• Molecular Formula: C28H29N5O3
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.23
• IUPAC Name: N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
• SMILES: O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CC2CC(C1)c1cccc(=O)n1C2)c1cccnc1
• InChI: InChI=1S/C28H29N5O3/c34-26-7-3-6-24-22-13-19(17-33(24)26)16-32(18-22)25-9-8-20(28(36)31-11-1-2-12-31)14-23(25)30-27(35)21-5-4-10-29-15-21/h3-10,14-15,19,22H,1-2,11-13,16-18H2,(H,30,35)
• InChIKey: MGILGKRKHRMSGT-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide (CID 15995914) is N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CC2CC(C1)c1cccc(=O)n1C2)c1cccnc1.

What is the InChIKey of N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide?

The InChIKey is MGILGKRKHRMSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c34-26-7-3-6-24-22-13-19(17-33(24)26)16-32(18-22)25-9-8-20(28(36)31-11-1-2-12-31)14-23(25)30-27(35)21-5-4-10-29-15-21/h3-10,14-15,19,22H,1-2,11-13,16-18H2,(H,30,35).

What are the key properties of N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide?

N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 15995914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).