N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide

C25H22N4O4 — CID 168935355

IUPACN-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3cc(NC(=O)c4ccc5c(c4)OCCO5)cnc3C)cc2c1
InChIInChI=1S/C25H22N4O4/c1-14-3-5-19-17(9-14)10-21(28-19)25(31)29-20-12-18(13-26-15(20)2)27-24(30)16-4-6-22-23(11-16)33-8-7-32-22/h3-6,9-13,28H,7-8H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyLSMXBOMMYMHKSH-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.46
Rot. Bonds4

About N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide

N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 168935355) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide
PubChem CID168935355
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC NameN-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3cc(NC(=O)c4ccc5c(c4)OCCO5)cnc3C)cc2c1
InChIInChI=1S/C25H22N4O4/c1-14-3-5-19-17(9-14)10-21(28-19)25(31)29-20-12-18(13-26-15(20)2)27-24(30)16-4-6-22-23(11-16)33-8-7-32-22/h3-6,9-13,28H,7-8H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyLSMXBOMMYMHKSH-UHFFFAOYSA-N
XLogP4.46
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]-1H-indole-2-carboxamide
CID 169229641
N-(2-methyl-5-nitro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 168935320
N-(2-fluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17396941
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]-4-methylbenzamide
CID 113021649
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1H-indole-2-carboxamide
CID 110863295
N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17466734
N-(5-acetamido-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 166209984
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109162603
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049332
N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide (CID 168935355) is N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)Nc3cc(NC(=O)c4ccc5c(c4)OCCO5)cnc3C)cc2c1.
What is the InChIKey of N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is LSMXBOMMYMHKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-14-3-5-19-17(9-14)10-21(28-19)25(31)29-20-12-18(13-26-15(20)2)27-24(30)16-4-6-22-23(11-16)33-8-7-32-22/h3-6,9-13,28H,7-8H2,1-2H3,(H,27,30)(H,29,31).
What are the key properties of N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide?
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methyl-3-pyridinyl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 168935355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).