6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid

C24H23N7O4 — CID 166799125

IUPAC6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid
SMILESCCC(=O)c1cnc(Nc2cccc(C(=O)O)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C24H23N7O4/c1-4-19(32)15-12-25-21(29-20-10-6-9-17(28-20)24(33)34)11-18(15)27-16-8-5-7-14(22(16)35-3)23-26-13-31(2)30-23/h5-13H,4H2,1-3H3,(H,33,34)(H2,25,27,28,29)
InChIKeyFDBZILOWUTZQNA-UHFFFAOYSA-N
MW473.49 g/mol
LogP4.06
Rot. Bonds9

About 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid

6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid (PubChem CID 166799125) has the molecular formula C24H23N7O4 and a molecular weight of 473.49 g/mol. Its IUPAC name is 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid
PubChem CID166799125
Molecular FormulaC24H23N7O4
Molecular Weight473.49 g/mol
Exact Mass473.18
IUPAC Name6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid
SMILESCCC(=O)c1cnc(Nc2cccc(C(=O)O)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C24H23N7O4/c1-4-19(32)15-12-25-21(29-20-10-6-9-17(28-20)24(33)34)11-18(15)27-16-8-5-7-14(22(16)35-3)23-26-13-31(2)30-23/h5-13H,4H2,1-3H3,(H,33,34)(H2,25,27,28,29)
InChIKeyFDBZILOWUTZQNA-UHFFFAOYSA-N
XLogP4.06
TPSA144.15 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
CID 156024956
6-(cyclopropanecarbonylamino)-4-[3-[5-(diethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028701
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrimidin-2-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028734
6-(cyclopropanecarbonylamino)-4-[3-[5-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028746
6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028772
6-(cyclopropanecarbonylamino)-4-[5-fluoro-3-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028799
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 162643883
5-(2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67774030
US9765058, Example 2-2-9
CID 86580571
6-(cyclopropanecarbonylamino)-4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 162675488
4-(2-Methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11301381
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
CID 90135672

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid (CID 166799125) is 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid is CCC(=O)c1cnc(Nc2cccc(C(=O)O)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC.
What is the InChIKey of 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid?
The InChIKey is FDBZILOWUTZQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O4/c1-4-19(32)15-12-25-21(29-20-10-6-9-17(28-20)24(33)34)11-18(15)27-16-8-5-7-14(22(16)35-3)23-26-13-31(2)30-23/h5-13H,4H2,1-3H3,(H,33,34)(H2,25,27,28,29).
What are the key properties of 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid?
6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid has a molecular weight of 473.49 g/mol, XLogP of 4.06, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 166799125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).