3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile

C19H20N4 — CID 10470310

IUPAC3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCCCNCc3cccnc3)c2c1
InChIInChI=1S/C19H20N4/c20-11-15-6-7-19-18(10-15)17(14-23-19)5-1-2-8-21-12-16-4-3-9-22-13-16/h3-4,6-7,9-10,13-14,21,23H,1-2,5,8,12H2
InChIKeyFZNKMCPDVPCZLO-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.55
Rot. Bonds7

About 3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile

3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile (PubChem CID 10470310) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile
PubChem CID10470310
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCCCNCc3cccnc3)c2c1
InChIInChI=1S/C19H20N4/c20-11-15-6-7-19-18(10-15)17(14-23-19)5-1-2-8-21-12-16-4-3-9-22-13-16/h3-4,6-7,9-10,13-14,21,23H,1-2,5,8,12H2
InChIKeyFZNKMCPDVPCZLO-UHFFFAOYSA-N
XLogP3.55
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(quinolin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile
CID 10043717
3-[4-[ethyl(pyridin-3-yl)amino]butyl]-1H-indole-5-carbonitrile
CID 10313828
3-bromo-4-[3-(pyridin-3-ylmethylamino)propylamino]benzonitrile
CID 82788356
3-(5-oxopentyl)-1H-indole-5-carbonitrile
CID 90054583
3-[4-[2-[(4-benzyl-1,2,5-thiadiazol-3-yl)oxy]ethylamino]butyl]-1H-indole-5-carbonitrile
CID 68841353
ethane;methane;3-pentyl-1H-indole-5-carbonitrile
CID 142891343
3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28670946
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile
CID 11230037
3-[4-[2-(2,1,3-benzoxadiazol-5-yloxy)ethylamino]butyl]-1H-indole-5-carbonitrile
CID 10248888
2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine
CID 150264043
3-[4-[2-[(3-chloro-2-pyridinyl)-methylamino]ethyl-methylamino]butyl]-1H-indole-5-carbonitrile
CID 141414332

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile (CID 10470310) is 3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(CCCCNCc3cccnc3)c2c1.
What is the InChIKey of 3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile?
The InChIKey is FZNKMCPDVPCZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c20-11-15-6-7-19-18(10-15)17(14-23-19)5-1-2-8-21-12-16-4-3-9-22-13-16/h3-4,6-7,9-10,13-14,21,23H,1-2,5,8,12H2.
What are the key properties of 3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile?
3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile has a molecular weight of 304.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 10470310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).