1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile

C16H10N4 — CID 107919175

IUPAC1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile
SMILESN#Cc1ncccc1Cn1ccc2c(C#N)cccc21
InChIInChI=1S/C16H10N4/c17-9-12-3-1-5-16-14(12)6-8-20(16)11-13-4-2-7-19-15(13)10-18/h1-8H,11H2
InChIKeyUWDSKSRMKPJPAX-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.83
Rot. Bonds2

About 1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile

1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile (PubChem CID 107919175) has the molecular formula C16H10N4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile.

Molecular Properties

Compound Name1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile
PubChem CID107919175
Molecular FormulaC16H10N4
Molecular Weight258.28 g/mol
Exact Mass258.09
IUPAC Name1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile
SMILESN#Cc1ncccc1Cn1ccc2c(C#N)cccc21
InChIInChI=1S/C16H10N4/c17-9-12-3-1-5-16-14(12)6-8-20(16)11-13-4-2-7-19-15(13)10-18/h1-8H,11H2
InChIKeyUWDSKSRMKPJPAX-UHFFFAOYSA-N
XLogP2.83
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile
CID 83174077
1-[(2-chloro-4-cyanophenyl)methyl]indole-4-carbonitrile
CID 107918981
1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile
CID 107919059
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207
1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile
CID 107919071
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]indole-4-carbonitrile
CID 114015832
1-[(4-aminophenyl)methyl]indole-4-carbonitrile
CID 107918478
1-[(3-cyanophenyl)methyl]indole-4-carbonitrile
CID 107918998
1-(2-aminoethyl)indole-4-carbonitrile
CID 103846349
3-[(3-methyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbonitrile
CID 80581912
1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile
CID 114015841
1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile
CID 107919149

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile?
The IUPAC name of 1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile (CID 107919175) is 1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile.
What is the SMILES notation for 1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile?
The canonical SMILES for 1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile is N#Cc1ncccc1Cn1ccc2c(C#N)cccc21.
What is the InChIKey of 1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile?
The InChIKey is UWDSKSRMKPJPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4/c17-9-12-3-1-5-16-14(12)6-8-20(16)11-13-4-2-7-19-15(13)10-18/h1-8H,11H2.
What are the key properties of 1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile?
1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile has a molecular weight of 258.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile is sourced from PubChem (CID 107919175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).