1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid

C19H18N2O2 — CID 145363755

IUPAC1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid
SMILESC=Cc1ccnc(Cn2c(C(=O)O)cc3cc(C)cc(C)c32)c1
InChIInChI=1S/C19H18N2O2/c1-4-14-5-6-20-16(9-14)11-21-17(19(22)23)10-15-8-12(2)7-13(3)18(15)21/h4-10H,1,11H2,2-3H3,(H,22,23)
InChIKeyGVMZXZNGQILACH-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.04
Rot. Bonds4

About 1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid

1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid (PubChem CID 145363755) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid
PubChem CID145363755
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid
SMILESC=Cc1ccnc(Cn2c(C(=O)O)cc3cc(C)cc(C)c32)c1
InChIInChI=1S/C19H18N2O2/c1-4-14-5-6-20-16(9-14)11-21-17(19(22)23)10-15-8-12(2)7-13(3)18(15)21/h4-10H,1,11H2,2-3H3,(H,22,23)
InChIKeyGVMZXZNGQILACH-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid?
The IUPAC name of 1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid (CID 145363755) is 1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid.
What is the SMILES notation for 1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid?
The canonical SMILES for 1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid is C=Cc1ccnc(Cn2c(C(=O)O)cc3cc(C)cc(C)c32)c1.
What is the InChIKey of 1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid?
The InChIKey is GVMZXZNGQILACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-4-14-5-6-20-16(9-14)11-21-17(19(22)23)10-15-8-12(2)7-13(3)18(15)21/h4-10H,1,11H2,2-3H3,(H,22,23).
What are the key properties of 1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid?
1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenyl-2-pyridinyl)methyl]-5,7-dimethylindole-2-carboxylic acid is sourced from PubChem (CID 145363755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).