6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

C26H27N7O4 — CID 155674539

About 6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 155674539) has the molecular formula C26H27N7O4 and a molecular weight of 504.57 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
• PubChem CID: 155674539
• Molecular Formula: C26H27N7O4
• Molecular Weight: 504.57 g/mol
• Exact Mass: 504.23
• IUPAC Name: 6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc(-c2ccc(NC(=O)C3CC3)cn2)c1OC
• InChI: InChI=1S/C26H27N7O4/c1-27-26(36)18-13-30-21(33-25(35)15-5-6-15)11-20(18)32-23-22(37-2)17(9-10-28-23)19-8-7-16(12-29-19)31-24(34)14-3-4-14/h7-15H,3-6H2,1-2H3,(H,27,36)(H,31,34)(H2,28,30,32,33,35)/i1D3
• InChIKey: KIYIZGQTVQHJDS-FIBGUPNXSA-N
• XLogP: 3.35
• TPSA: 147.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.57
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (CID 155674539) is 6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc(-c2ccc(NC(=O)C3CC3)cn2)c1OC.

What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

The InChIKey is KIYIZGQTVQHJDS-FIBGUPNXSA-N. The full InChI is InChI=1S/C26H27N7O4/c1-27-26(36)18-13-30-21(33-25(35)15-5-6-15)11-20(18)32-23-22(37-2)17(9-10-28-23)19-8-7-16(12-29-19)31-24(34)14-3-4-14/h7-15H,3-6H2,1-2H3,(H,27,36)(H,31,34)(H2,28,30,32,33,35)/i1D3.

What are the key properties of 6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 504.57 g/mol, XLogP of 3.35, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 155674539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).