2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile

C16H14N4 — CID 174615135

IUPAC2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile
SMILESCc1ncc(N)cc1-c1c(C#N)c2ccccc2n1C
InChIInChI=1S/C16H14N4/c1-10-13(7-11(18)9-19-10)16-14(8-17)12-5-3-4-6-15(12)20(16)2/h3-7,9H,18H2,1-2H3
InChIKeyNQHSYIBPNFQWAA-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.00
Rot. Bonds1

About 2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile

2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile (PubChem CID 174615135) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile.

Molecular Properties

Compound Name2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile
PubChem CID174615135
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile
SMILESCc1ncc(N)cc1-c1c(C#N)c2ccccc2n1C
InChIInChI=1S/C16H14N4/c1-10-13(7-11(18)9-19-10)16-14(8-17)12-5-3-4-6-15(12)20(16)2/h3-7,9H,18H2,1-2H3
InChIKeyNQHSYIBPNFQWAA-UHFFFAOYSA-N
XLogP3.00
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile
CID 131729216
2-[amino-(3-methylphenyl)methyl]-1-methylindole-3-carbonitrile
CID 22299760
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
9-methyl-1,3-diphenylcarbazole-2-carbonitrile
CID 3563048
2-amino-1,5-dimethylindole-3-carbonitrile
CID 21025755
1-methyl-2-[(2-methylanilino)methyl]indole-3-carbonitrile
CID 748399
2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile
CID 82476649
4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile
CID 116865128
pyrido[1,2-a]indole-10-carbonitrile
CID 66666977
1,9-dimethylpyrido[3,4-b]indol-3-amine
CID 115027398
5-(4-chlorophenyl)-6-methylpyridin-3-amine
CID 165369043
1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 15210133

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile?
The IUPAC name of 2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile (CID 174615135) is 2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile.
What is the SMILES notation for 2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile?
The canonical SMILES for 2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile is Cc1ncc(N)cc1-c1c(C#N)c2ccccc2n1C.
What is the InChIKey of 2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile?
The InChIKey is NQHSYIBPNFQWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-10-13(7-11(18)9-19-10)16-14(8-17)12-5-3-4-6-15(12)20(16)2/h3-7,9H,18H2,1-2H3.
What are the key properties of 2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile?
2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile has a molecular weight of 262.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methyl-3-pyridinyl)-1-methylindole-3-carbonitrile is sourced from PubChem (CID 174615135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).