methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate

C16H14N2O3 — CID 178035448

IUPACmethyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(-c2ccnc(OC)c2)c2ccccc12
InChIInChI=1S/C16H14N2O3/c1-20-15-9-11(7-8-17-15)18-10-13(16(19)21-2)12-5-3-4-6-14(12)18/h3-10H,1-2H3
InChIKeyRVIBGLDJBNXCPK-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.82
Rot. Bonds3

About methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate

methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate (PubChem CID 178035448) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate
PubChem CID178035448
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(-c2ccnc(OC)c2)c2ccccc12
InChIInChI=1S/C16H14N2O3/c1-20-15-9-11(7-8-17-15)18-10-13(16(19)21-2)12-5-3-4-6-14(12)18/h3-10H,1-2H3
InChIKeyRVIBGLDJBNXCPK-UHFFFAOYSA-N
XLogP2.82
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-quinolin-6-ylindole-3-carboxylate
CID 68969653
methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate
CID 178035422
methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
CID 86708891
methyl 1-[3-(trifluoromethyl)phenyl]indole-3-carboxylate
CID 24895075
methyl 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indole-3-carboxylate
CID 24959893
methyl 1-(3,4-dimethoxybenzoyl)indole-3-carboxylate
CID 703705
1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone
CID 58206222
methyl 2-(2-methoxy-4-pyridinyl)pyridine-3-carboxylate
CID 155342393
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate
CID 925279
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18155594

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate (CID 178035448) is methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate is COC(=O)c1cn(-c2ccnc(OC)c2)c2ccccc12.
What is the InChIKey of methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate?
The InChIKey is RVIBGLDJBNXCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-15-9-11(7-8-17-15)18-10-13(16(19)21-2)12-5-3-4-6-14(12)18/h3-10H,1-2H3.
What are the key properties of methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate?
methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate is sourced from PubChem (CID 178035448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).