N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide

C21H22ClN7O — CID 77407686

About N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide

N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 77407686) has the molecular formula C21H22ClN7O and a molecular weight of 423.91 g/mol. Its IUPAC name is N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 77407686
• Molecular Formula: C21H22ClN7O
• Molecular Weight: 423.91 g/mol
• Exact Mass: 423.16
• IUPAC Name: N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
• SMILES: O=C(Nc1cc(-c2cncc(NCc3ccccn3)n2)c(Cl)cn1)C1CCCNC1
• InChI: InChI=1S/C21H22ClN7O/c22-17-11-27-19(29-21(30)14-4-3-6-23-9-14)8-16(17)18-12-24-13-20(28-18)26-10-15-5-1-2-7-25-15/h1-2,5,7-8,11-14,23H,3-4,6,9-10H2,(H,26,28)(H,27,29,30)
• InChIKey: GQHNUAYKWVPIKE-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 104.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.91
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide?

The IUPAC name of N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 77407686) is N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide.

What is the SMILES notation for N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide?

The canonical SMILES for N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2cncc(NCc3ccccn3)n2)c(Cl)cn1)C1CCCNC1.

What is the InChIKey of N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide?

The InChIKey is GQHNUAYKWVPIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN7O/c22-17-11-27-19(29-21(30)14-4-3-6-23-9-14)8-16(17)18-12-24-13-20(28-18)26-10-15-5-1-2-7-25-15/h1-2,5,7-8,11-14,23H,3-4,6,9-10H2,(H,26,28)(H,27,29,30).

What are the key properties of N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide?

N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 423.91 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 77407686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).