1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile

C16H13N3O — CID 107917126

IUPAC1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile
SMILESCOc1ncccc1Cn1ccc2ccc(C#N)cc21
InChIInChI=1S/C16H13N3O/c1-20-16-14(3-2-7-18-16)11-19-8-6-13-5-4-12(10-17)9-15(13)19/h2-9H,11H2,1H3
InChIKeyVWMIIBPDQQZJSG-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.96
Rot. Bonds3

About 1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile

1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile (PubChem CID 107917126) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile.

Molecular Properties

Compound Name1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile
PubChem CID107917126
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile
SMILESCOc1ncccc1Cn1ccc2ccc(C#N)cc21
InChIInChI=1S/C16H13N3O/c1-20-16-14(3-2-7-18-16)11-19-8-6-13-5-4-12(10-17)9-15(13)19/h2-9H,11H2,1H3
InChIKeyVWMIIBPDQQZJSG-UHFFFAOYSA-N
XLogP2.96
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole
CID 116620449
1-[(2-fluoro-3-methoxyphenyl)methyl]indole-6-carbonitrile
CID 107917049
1-(pyridin-4-ylmethyl)indole-6-carbonitrile
CID 107916985
2-[(6-cyanoindol-1-yl)methyl]benzamide
CID 107917663
1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
CID 107917142
1-[(1-methylpyrazol-3-yl)methyl]indole-6-carbonitrile
CID 107917098
[1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine
CID 102913706
1-[(3-fluorophenyl)methyl]indole-6-carbonitrile
CID 91690035
1-[(2-methyl-1,3-thiazol-5-yl)methyl]indole-6-carbonitrile
CID 114015637
1-(naphthalen-2-ylmethyl)indole-6-carbonitrile
CID 91690044
2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114769703
3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile
CID 103566901

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile?
The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile (CID 107917126) is 1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile.
What is the SMILES notation for 1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile?
The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile is COc1ncccc1Cn1ccc2ccc(C#N)cc21.
What is the InChIKey of 1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile?
The InChIKey is VWMIIBPDQQZJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-20-16-14(3-2-7-18-16)11-19-8-6-13-5-4-12(10-17)9-15(13)19/h2-9H,11H2,1H3.
What are the key properties of 1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile?
1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile is sourced from PubChem (CID 107917126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).