2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile

C15H14N4 — CID 115146409

IUPAC2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile
SMILESCN(Cc1cc[nH]c1)c1[nH]c2ccccc2c1C#N
InChIInChI=1S/C15H14N4/c1-19(10-11-6-7-17-9-11)15-13(8-16)12-4-2-3-5-14(12)18-15/h2-7,9,17-18H,10H2,1H3
InChIKeyBPVBWIMREAACOT-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.00
Rot. Bonds3

About 2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile

2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile (PubChem CID 115146409) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile
PubChem CID115146409
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile
SMILESCN(Cc1cc[nH]c1)c1[nH]c2ccccc2c1C#N
InChIInChI=1S/C15H14N4/c1-19(10-11-6-7-17-9-11)15-13(8-16)12-4-2-3-5-14(12)18-15/h2-7,9,17-18H,10H2,1H3
InChIKeyBPVBWIMREAACOT-UHFFFAOYSA-N
XLogP3.00
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile?
The IUPAC name of 2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile (CID 115146409) is 2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile?
The canonical SMILES for 2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile is CN(Cc1cc[nH]c1)c1[nH]c2ccccc2c1C#N.
What is the InChIKey of 2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile?
The InChIKey is BPVBWIMREAACOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-19(10-11-6-7-17-9-11)15-13(8-16)12-4-2-3-5-14(12)18-15/h2-7,9,17-18H,10H2,1H3.
What are the key properties of 2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile?
2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile has a molecular weight of 250.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile is sourced from PubChem (CID 115146409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).