1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile

C17H16N4 — CID 107919679

IUPAC1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile
SMILESCc1cnc(Cn2ccc3cc(C#N)ccc32)c(C)c1N
InChIInChI=1S/C17H16N4/c1-11-9-20-15(12(2)17(11)19)10-21-6-5-14-7-13(8-18)3-4-16(14)21/h3-7,9H,10H2,1-2H3,(H2,19,20)
InChIKeyMFTMKTGMKYKUBT-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.16
Rot. Bonds2

About 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile

1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile (PubChem CID 107919679) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile.

Molecular Properties

Compound Name1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile
PubChem CID107919679
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile
SMILESCc1cnc(Cn2ccc3cc(C#N)ccc32)c(C)c1N
InChIInChI=1S/C17H16N4/c1-11-9-20-15(12(2)17(11)19)10-21-6-5-14-7-13(8-18)3-4-16(14)21/h3-7,9H,10H2,1-2H3,(H2,19,20)
InChIKeyMFTMKTGMKYKUBT-UHFFFAOYSA-N
XLogP3.16
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine
CID 103182727
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile
CID 107920403
1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile
CID 107920256
1-[(3-amino-5-fluorophenyl)methyl]indole-5-carbonitrile
CID 107919689
1-[(4-amino-3-fluorophenyl)methyl]indole-5-carbonitrile
CID 107919677
6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid
CID 107919713
1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile
CID 91690059
1-(2-methylsulfonylethyl)indole-5-carbonitrile
CID 114015955
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile
CID 107920157
4-[(6-aminoindol-1-yl)methyl]-3-methylbenzonitrile
CID 114480884
1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile
CID 107920424
1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile
CID 107920285

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile?
The IUPAC name of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile (CID 107919679) is 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile.
What is the SMILES notation for 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile?
The canonical SMILES for 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile is Cc1cnc(Cn2ccc3cc(C#N)ccc32)c(C)c1N.
What is the InChIKey of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile?
The InChIKey is MFTMKTGMKYKUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-11-9-20-15(12(2)17(11)19)10-21-6-5-14-7-13(8-18)3-4-16(14)21/h3-7,9H,10H2,1-2H3,(H2,19,20).
What are the key properties of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile?
1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile is sourced from PubChem (CID 107919679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).