1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide

C26H26N4O5 — CID 149019221

IUPAC1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
SMILESCOc1ccc(-c2ccc(OC)c3c2N=C(NC(=O)c2ccc(C(=O)N(C)C)cc2)C3)c(OC)n1
InChIInChI=1S/C26H26N4O5/c1-30(2)26(32)16-8-6-15(7-9-16)24(31)28-21-14-19-20(33-3)12-10-17(23(19)27-21)18-11-13-22(34-4)29-25(18)35-5/h6-13H,14H2,1-5H3,(H,27,28,31)
InChIKeyQDDGRHQEYVLAGN-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.49
Rot. Bonds6

About 1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide

1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide (PubChem CID 149019221) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is 1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
PubChem CID149019221
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC Name1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
SMILESCOc1ccc(-c2ccc(OC)c3c2N=C(NC(=O)c2ccc(C(=O)N(C)C)cc2)C3)c(OC)n1
InChIInChI=1S/C26H26N4O5/c1-30(2)26(32)16-8-6-15(7-9-16)24(31)28-21-14-19-20(33-3)12-10-17(23(19)27-21)18-11-13-22(34-4)29-25(18)35-5/h6-13H,14H2,1-5H3,(H,27,28,31)
InChIKeyQDDGRHQEYVLAGN-UHFFFAOYSA-N
XLogP3.49
TPSA102.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide
CID 157498367
6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide
CID 147914533
N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide
CID 159978643
N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide
CID 158058342
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-6-methoxypyridine-3-carboxamide
CID 32514301
N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 147014443
4-[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxy-2-pyridinyl]-N,N,3-trimethylbenzamide
CID 90167893
2-(2,6-dimethoxy-3-pyridinyl)benzamide
CID 141074952
4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840532
2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 91914773
N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 136567147
(2,6-dimethoxy-3-pyridinyl) prop-2-enoate
CID 174450534

Frequently Asked Questions

What is the IUPAC name of 1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide (CID 149019221) is 1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide is COc1ccc(-c2ccc(OC)c3c2N=C(NC(=O)c2ccc(C(=O)N(C)C)cc2)C3)c(OC)n1.
What is the InChIKey of 1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The InChIKey is QDDGRHQEYVLAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-30(2)26(32)16-8-6-15(7-9-16)24(31)28-21-14-19-20(33-3)12-10-17(23(19)27-21)18-11-13-22(34-4)29-25(18)35-5/h6-13H,14H2,1-5H3,(H,27,28,31).
What are the key properties of 1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide has a molecular weight of 474.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 149019221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).