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

C23H21N5O3 — CID 78454207

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

N-[6-oxo-11-(pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide (PubChem CID 78454207) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[6-oxo-11-(pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-oxo-11-(pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide
• PubChem CID: 78454207
• Molecular Formula: C23H21N5O3
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.16
• IUPAC Name: N-[6-oxo-11-(pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide
• SMILES: O=C(Nc1ccc2n(c1=O)CC1CC2CN(C(=O)c2cccnc2)C1)c1ccncc1
• InChI: InChI=1S/C23H21N5O3/c29-21(16-5-8-24-9-6-16)26-19-3-4-20-18-10-15(13-28(20)23(19)31)12-27(14-18)22(30)17-2-1-7-25-11-17/h1-9,11,15,18H,10,12-14H2,(H,26,29)
• InChIKey: GKZGQZHUITWGHW-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 97.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[6-oxo-11-(pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide (CID 78454207) is N-[6-oxo-11-(pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide.

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

The canonical SMILES for N-[6-oxo-11-(pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide is O=C(Nc1ccc2n(c1=O)CC1CC2CN(C(=O)c2cccnc2)C1)c1ccncc1.

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

The InChIKey is GKZGQZHUITWGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c29-21(16-5-8-24-9-6-16)26-19-3-4-20-18-10-15(13-28(20)23(19)31)12-27(14-18)22(30)17-2-1-7-25-11-17/h1-9,11,15,18H,10,12-14H2,(H,26,29).

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

N-[6-oxo-11-(pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-oxo-11-(pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 78454207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).