1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile

C17H16N4 — CID 10636193

IUPAC1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile
SMILESCCCN(c1ccncc1)n1cc(C#N)c2ccccc21
InChIInChI=1S/C17H16N4/c1-2-11-20(15-7-9-19-10-8-15)21-13-14(12-18)16-5-3-4-6-17(16)21/h3-10,13H,2,11H2,1H3
InChIKeyJWHRWJZJTWFYRA-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.59
Rot. Bonds4

About 1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile

1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile (PubChem CID 10636193) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile.

Molecular Properties

Compound Name1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile
PubChem CID10636193
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile
SMILESCCCN(c1ccncc1)n1cc(C#N)c2ccccc21
InChIInChI=1S/C17H16N4/c1-2-11-20(15-7-9-19-10-8-15)21-13-14(12-18)16-5-3-4-6-17(16)21/h3-10,13H,2,11H2,1H3
InChIKeyJWHRWJZJTWFYRA-UHFFFAOYSA-N
XLogP3.59
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile?
The IUPAC name of 1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile (CID 10636193) is 1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile.
What is the SMILES notation for 1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile?
The canonical SMILES for 1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile is CCCN(c1ccncc1)n1cc(C#N)c2ccccc21.
What is the InChIKey of 1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile?
The InChIKey is JWHRWJZJTWFYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-2-11-20(15-7-9-19-10-8-15)21-13-14(12-18)16-5-3-4-6-17(16)21/h3-10,13H,2,11H2,1H3.
What are the key properties of 1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile?
1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propyl(pyridin-4-yl)amino]indole-3-carbonitrile is sourced from PubChem (CID 10636193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).