4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate

C53H60N8O3S2 — CID 158417060

IUPAC4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate
SMILESC.C.CCc1sc(-c2cnc(C)cn2)cc1-c1ccc(C(=O)Nc2cnc(C)cc2C)cc1.CCc1sc(-c2cnc(C)cn2)cc1-c1ccc(C(=O)OC)cc1.Cc1cc(C)c(N)cn1
InChIInChI=1S/C25H24N4OS.C19H18N2O2S.C7H10N2.2CH4/c1-5-23-20(11-24(31-23)22-14-27-17(4)12-28-22)18-6-8-19(9-7-18)25(30)29-21-13-26-16(3)10-15(21)2;1-4-17-15(13-5-7-14(8-6-13)19(22)23-3)9-18(24-17)16-11-20-12(2)10-21-16;1-5-3-6(2)9-4-7(5)8;;/h6-14H,5H2,1-4H3,(H,29,30);5-11H,4H2,1-3H3;3-4H,8H2,1-2H3;2*1H4
InChIKeyHAAHZXKNZZCMDA-UHFFFAOYSA-N
MW921.25 g/mol
LogP13.09
Rot. Bonds9

About 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate

4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate (PubChem CID 158417060) has the molecular formula C53H60N8O3S2 and a molecular weight of 921.25 g/mol. Its IUPAC name is 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate.

Molecular Properties

Compound Name4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate
PubChem CID158417060
Molecular FormulaC53H60N8O3S2
Molecular Weight921.25 g/mol
Exact Mass920.42
IUPAC Name4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate
SMILESC.C.CCc1sc(-c2cnc(C)cn2)cc1-c1ccc(C(=O)Nc2cnc(C)cc2C)cc1.CCc1sc(-c2cnc(C)cn2)cc1-c1ccc(C(=O)OC)cc1.Cc1cc(C)c(N)cn1
InChIInChI=1S/C25H24N4OS.C19H18N2O2S.C7H10N2.2CH4/c1-5-23-20(11-24(31-23)22-14-27-17(4)12-28-22)18-6-8-19(9-7-18)25(30)29-21-13-26-16(3)10-15(21)2;1-4-17-15(13-5-7-14(8-6-13)19(22)23-3)9-18(24-17)16-11-20-12(2)10-21-16;1-5-3-6(2)9-4-7(5)8;;/h6-14H,5H2,1-4H3,(H,29,30);5-11H,4H2,1-3H3;3-4H,8H2,1-2H3;2*1H4
InChIKeyHAAHZXKNZZCMDA-UHFFFAOYSA-N
XLogP13.09
TPSA158.76 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500921.25
LogP ≤ 513.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate with MolForge

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Related Compounds

tetrakis(2-N,5-N-dipyridin-3-ylthiophene-2,5-dicarboxamide);bis(nickel(2+));phthalate;dihydrate
CID 168345579
Ethyl 5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)thiophen-2-yl]thiophene-2-carboxylate
CID 57668627
Methyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate
CID 58657111
Methyl 5-[5-(3-phenylpropanoylamino)-2-pyridinyl]thiophene-2-carboxylate
CID 58657191
Methyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate
CID 58657229
Methyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate
CID 58657291
Methyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate
CID 58657295
Methyl 5-[5-(pyridine-4-carbonylamino)-2-pyridinyl]thiophene-2-carboxylate
CID 58657330
Methyl 2-[3-[5-(5-amino-2-pyridinyl)thiophen-2-yl]butanoylamino]benzoate
CID 59023600
Bicyclo[3.1.0]hexa-1(6),2,4-triene;methyl 5-(3-acetamido-2-pyridinyl)thiophene-2-carboxylate
CID 69601454
Methyl 5-(3-amino-5-benzyl-2-pyridinyl)thiophene-2-carboxylate
CID 69700571
Methyl 5-[5-(benzylamino)-2-pyridinyl]thiophene-2-carboxylate
CID 69700574

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate?
The IUPAC name of 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate (CID 158417060) is 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate.
What is the SMILES notation for 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate?
The canonical SMILES for 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate is C.C.CCc1sc(-c2cnc(C)cn2)cc1-c1ccc(C(=O)Nc2cnc(C)cc2C)cc1.CCc1sc(-c2cnc(C)cn2)cc1-c1ccc(C(=O)OC)cc1.Cc1cc(C)c(N)cn1.
What is the InChIKey of 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate?
The InChIKey is HAAHZXKNZZCMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS.C19H18N2O2S.C7H10N2.2CH4/c1-5-23-20(11-24(31-23)22-14-27-17(4)12-28-22)18-6-8-19(9-7-18)25(30)29-21-13-26-16(3)10-15(21)2;1-4-17-15(13-5-7-14(8-6-13)19(22)23-3)9-18(24-17)16-11-20-12(2)10-21-16;1-5-3-6(2)9-4-7(5)8;;/h6-14H,5H2,1-4H3,(H,29,30);5-11H,4H2,1-3H3;3-4H,8H2,1-2H3;2*1H4.
What are the key properties of 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate?
4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate has a molecular weight of 921.25 g/mol, XLogP of 13.09, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzamide;methane;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate is sourced from PubChem (CID 158417060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).