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

C28H34N8O5 — CID 166585200

IUPAC4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nc(C(C)N3CCN(C(C)=O)CC3)no2)c1OC
InChIInChI=1S/C28H34N8O5/c1-16(35-10-12-36(13-11-35)17(2)37)25-33-28(41-34-25)19-6-5-7-21(24(19)40-4)31-22-14-23(32-26(38)18-8-9-18)30-15-20(22)27(39)29-3/h5-7,14-16,18H,8-13H2,1-4H3,(H,29,39)(H2,30,31,32,38)/i3D3
InChIKeyNGTDRZZXRLWNAJ-HPRDVNIFSA-N
MW565.65 g/mol
LogP2.82
Rot. Bonds10

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

4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 166585200) has the molecular formula C28H34N8O5 and a molecular weight of 565.65 g/mol. Its IUPAC name is 4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
PubChem CID166585200
Molecular FormulaC28H34N8O5
Molecular Weight565.65 g/mol
Exact Mass565.28
IUPAC Name4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nc(C(C)N3CCN(C(C)=O)CC3)no2)c1OC
InChIInChI=1S/C28H34N8O5/c1-16(35-10-12-36(13-11-35)17(2)37)25-33-28(41-34-25)19-6-5-7-21(24(19)40-4)31-22-14-23(32-26(38)18-8-9-18)30-15-20(22)27(39)29-3/h5-7,14-16,18H,8-13H2,1-4H3,(H,29,39)(H2,30,31,32,38)/i3D3
InChIKeyNGTDRZZXRLWNAJ-HPRDVNIFSA-N
XLogP2.82
TPSA154.82 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.65
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(phenylmethoxymethyl)-1,2,4-oxadiazol-5-yl]anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 166584982
4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 175957194
4-[3-[3-[(4-acetyl-2-oxopiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584945
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-(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
6-(cyclopropanecarbonylamino)-4-[3-[3-[[4-(ethylcarbamoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166585086
4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437592
CID 174037160
CID 174037160
CID 174036867
CID 174036867
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164902968
6-(cyclopropanecarbonylamino)-4-[(7-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepin-8-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164903003
N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide
CID 166492549

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
The IUPAC name of 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) is 4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nc(C(C)N3CCN(C(C)=O)CC3)no2)c1OC.
What is the InChIKey of 4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
The InChIKey is NGTDRZZXRLWNAJ-HPRDVNIFSA-N. The full InChI is InChI=1S/C28H34N8O5/c1-16(35-10-12-36(13-11-35)17(2)37)25-33-28(41-34-25)19-6-5-7-21(24(19)40-4)31-22-14-23(32-26(38)18-8-9-18)30-15-20(22)27(39)29-3/h5-7,14-16,18H,8-13H2,1-4H3,(H,29,39)(H2,30,31,32,38)/i3D3.
What are the key properties of 4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 565.65 g/mol, XLogP of 2.82, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 166585200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).