6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide

C21H21N7O3 — CID 171783748

IUPAC6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1cc(-c2ccn3nc(Nc4cccc(C(=O)N(C)C)n4)nc3c2)cnc1OC
InChIInChI=1S/C21H21N7O3/c1-27(2)20(29)15-6-5-7-17(23-15)24-21-25-18-11-13(8-9-28(18)26-21)14-10-16(30-3)19(31-4)22-12-14/h5-12H,1-4H3,(H,23,24,26)
InChIKeyMULOTHKWEKBZJM-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.65
Rot. Bonds6

About 6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide

6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 171783748) has the molecular formula C21H21N7O3 and a molecular weight of 419.45 g/mol. Its IUPAC name is 6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID171783748
Molecular FormulaC21H21N7O3
Molecular Weight419.45 g/mol
Exact Mass419.17
IUPAC Name6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1cc(-c2ccn3nc(Nc4cccc(C(=O)N(C)C)n4)nc3c2)cnc1OC
InChIInChI=1S/C21H21N7O3/c1-27(2)20(29)15-6-5-7-17(23-15)24-21-25-18-11-13(8-9-28(18)26-21)14-10-16(30-3)19(31-4)22-12-14/h5-12H,1-4H3,(H,23,24,26)
InChIKeyMULOTHKWEKBZJM-UHFFFAOYSA-N
XLogP2.65
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide (CID 171783748) is 6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide is COc1cc(-c2ccn3nc(Nc4cccc(C(=O)N(C)C)n4)nc3c2)cnc1OC.
What is the InChIKey of 6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is MULOTHKWEKBZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3/c1-27(2)20(29)15-6-5-7-17(23-15)24-21-25-18-11-13(8-9-28(18)26-21)14-10-16(30-3)19(31-4)22-12-14/h5-12H,1-4H3,(H,23,24,26).
What are the key properties of 6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide?
6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 171783748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).