6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide

C23H24N6O4 — CID 157028779

IUPAC6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(OC)cn2)c1OC
InChIInChI=1S/C23H24N6O4/c1-24-23(31)15-10-26-19(29-22(30)13-7-8-13)9-17(15)28-16-6-4-5-14(21(16)33-3)18-11-27-20(32-2)12-25-18/h4-6,9-13H,7-8H2,1-3H3,(H,24,31)(H2,26,28,29,30)/i1D3
InChIKeyGKHGVNLHTJTHHE-FIBGUPNXSA-N
MW451.50 g/mol
LogP3.01
Rot. Bonds9

About 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 157028779) has the molecular formula C23H24N6O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
PubChem CID157028779
Molecular FormulaC23H24N6O4
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(OC)cn2)c1OC
InChIInChI=1S/C23H24N6O4/c1-24-23(31)15-10-26-19(29-22(30)13-7-8-13)9-17(15)28-16-6-4-5-14(21(16)33-3)18-11-27-20(32-2)12-25-18/h4-6,9-13H,7-8H2,1-3H3,(H,24,31)(H2,26,28,29,30)/i1D3
InChIKeyGKHGVNLHTJTHHE-FIBGUPNXSA-N
XLogP3.01
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide (CID 157028779) is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(OC)cn2)c1OC.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The InChIKey is GKHGVNLHTJTHHE-FIBGUPNXSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-24-23(31)15-10-26-19(29-22(30)13-7-8-13)9-17(15)28-16-6-4-5-14(21(16)33-3)18-11-27-20(32-2)12-25-18/h4-6,9-13H,7-8H2,1-3H3,(H,24,31)(H2,26,28,29,30)/i1D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 3.01, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 157028779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).