methyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate

C17H13N3O2 — CID 67107039

IUPACmethyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(-c2ccc3[nH]cc(C#N)c3c2)c1
InChIInChI=1S/C17H13N3O2/c1-10-5-12(17(21)22-2)7-16(20-10)11-3-4-15-14(6-11)13(8-18)9-19-15/h3-7,9,19H,1-2H3
InChIKeySHNYFSOPUQDMSO-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.20
Rot. Bonds2

About methyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate

methyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate (PubChem CID 67107039) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate
PubChem CID67107039
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Namemethyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(-c2ccc3[nH]cc(C#N)c3c2)c1
InChIInChI=1S/C17H13N3O2/c1-10-5-12(17(21)22-2)7-16(20-10)11-3-4-15-14(6-11)13(8-18)9-19-15/h3-7,9,19H,1-2H3
InChIKeySHNYFSOPUQDMSO-UHFFFAOYSA-N
XLogP3.20
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(hydroxyiminomethyl)-1H-indol-5-yl]-6-methylpyridine-4-carboxylate
CID 170994040
methyl 3-cyano-1H-indole-5-carboxylate
CID 19603726
ethyl 2-(3-cyano-1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 68753632
methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate
CID 39732995
methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate
CID 55267491
4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide
CID 129191371
methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate
CID 67469548
methyl 2-[3-cyano-4-(1H-pyrrol-3-yl)phenyl]pyridine-4-carboxylate
CID 66995130
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate
CID 164553795
methyl 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylate
CID 68758496

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate?
The IUPAC name of methyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate (CID 67107039) is methyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate is COC(=O)c1cc(C)nc(-c2ccc3[nH]cc(C#N)c3c2)c1.
What is the InChIKey of methyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate?
The InChIKey is SHNYFSOPUQDMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-10-5-12(17(21)22-2)7-16(20-10)11-3-4-15-14(6-11)13(8-18)9-19-15/h3-7,9,19H,1-2H3.
What are the key properties of methyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate?
methyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 67107039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).