N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide

C19H20N4O2 — CID 86771638

About N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide

N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide (PubChem CID 86771638) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
• PubChem CID: 86771638
• Molecular Formula: C19H20N4O2
• Molecular Weight: 336.40 g/mol
• Exact Mass: 336.16
• IUPAC Name: N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)N2C[C@@H]3C[C@H](NC(=O)c4cccnc4)[C@H]2C3)cn1
• InChI: InChI=1S/C19H20N4O2/c1-12-4-5-15(10-21-12)19(25)23-11-13-7-16(17(23)8-13)22-18(24)14-3-2-6-20-9-14/h2-6,9-10,13,16-17H,7-8,11H2,1H3,(H,22,24)/t13-,16+,17-/m1/s1
• InChIKey: PEXQBPOKLKMRGQ-XOKHGSTOSA-N
• XLogP: 1.82
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.40
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide (CID 86771638) is N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)N2C[C@@H]3C[C@H](NC(=O)c4cccnc4)[C@H]2C3)cn1.

What is the InChIKey of N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?

The InChIKey is PEXQBPOKLKMRGQ-XOKHGSTOSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-4-5-15(10-21-12)19(25)23-11-13-7-16(17(23)8-13)22-18(24)14-3-2-6-20-9-14/h2-6,9-10,13,16-17H,7-8,11H2,1H3,(H,22,24)/t13-,16+,17-/m1/s1.

What are the key properties of N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?

N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 86771638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).