4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide

C24H28N6O4 — CID 175957194

IUPAC4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2noc(CCCC)n2)c1OC
InChIInChI=1S/C24H28N6O4/c1-4-5-9-20-29-22(30-34-20)15-7-6-8-17(21(15)33-3)27-18-12-19(28-23(31)14-10-11-14)26-13-16(18)24(32)25-2/h6-8,12-14H,4-5,9-11H2,1-3H3,(H,25,32)(H2,26,27,28,31)/i2D3
InChIKeyZQFJZALNNQTFNG-BMSJAHLVSA-N
MW467.54 g/mol
LogP3.93
Rot. Bonds11

About 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide

4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 175957194) has the molecular formula C24H28N6O4 and a molecular weight of 467.54 g/mol. Its IUPAC name is 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
PubChem CID175957194
Molecular FormulaC24H28N6O4
Molecular Weight467.54 g/mol
Exact Mass467.24
IUPAC Name4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2noc(CCCC)n2)c1OC
InChIInChI=1S/C24H28N6O4/c1-4-5-9-20-29-22(30-34-20)15-7-6-8-17(21(15)33-3)27-18-12-19(28-23(31)14-10-11-14)26-13-16(18)24(32)25-2/h6-8,12-14H,4-5,9-11H2,1-3H3,(H,25,32)(H2,26,27,28,31)/i2D3
InChIKeyZQFJZALNNQTFNG-BMSJAHLVSA-N
XLogP3.93
TPSA131.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175742141
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-prop-2-ynyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157020994
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(phenylmethoxymethyl)-1,2,4-oxadiazol-5-yl]anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 166584982
CID 174037173
CID 174037173
6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide
CID 170318085
CID 174036867
CID 174036867
4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 166585200
N-[5-(ethylaminocarbamoyl)-4-(2-methoxy-3-pyrimidin-2-ylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 171532642
3-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide
CID 166584992
6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 160507017
N-[5-(cyclopropanecarbonyl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;methane
CID 161137415
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-N-methylpyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(2-methylpyrazol-3-yl)anilino]-N-methylpyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(2-methylpyrazol-3-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 160567483

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
The IUPAC name of 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide (CID 175957194) is 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2noc(CCCC)n2)c1OC.
What is the InChIKey of 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
The InChIKey is ZQFJZALNNQTFNG-BMSJAHLVSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-4-5-9-20-29-22(30-34-20)15-7-6-8-17(21(15)33-3)27-18-12-19(28-23(31)14-10-11-14)26-13-16(18)24(32)25-2/h6-8,12-14H,4-5,9-11H2,1-3H3,(H,25,32)(H2,26,27,28,31)/i2D3.
What are the key properties of 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 467.54 g/mol, XLogP of 3.93, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 175957194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).