methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate

C20H20N2O3 — CID 69097116

IUPACmethyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(C3CC3)[nH]c3cc(OC)ccc23)n1
InChIInChI=1S/C20H20N2O3/c1-24-14-8-9-15-16(19(12-6-7-12)22-18(15)11-14)10-13-4-3-5-17(21-13)20(23)25-2/h3-5,8-9,11-12,22H,6-7,10H2,1-2H3
InChIKeyHYYYGQLRPGCPIA-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.83
Rot. Bonds5

About methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate

methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate (PubChem CID 69097116) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate
PubChem CID69097116
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Namemethyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(C3CC3)[nH]c3cc(OC)ccc23)n1
InChIInChI=1S/C20H20N2O3/c1-24-14-8-9-15-16(19(12-6-7-12)22-18(15)11-14)10-13-4-3-5-17(21-13)20(23)25-2/h3-5,8-9,11-12,22H,6-7,10H2,1-2H3
InChIKeyHYYYGQLRPGCPIA-UHFFFAOYSA-N
XLogP3.83
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate (CID 69097116) is methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(Cc2c(C3CC3)[nH]c3cc(OC)ccc23)n1.
What is the InChIKey of methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The InChIKey is HYYYGQLRPGCPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-24-14-8-9-15-16(19(12-6-7-12)22-18(15)11-14)10-13-4-3-5-17(21-13)20(23)25-2/h3-5,8-9,11-12,22H,6-7,10H2,1-2H3.
What are the key properties of methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 69097116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).