2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile

C19H20N4O2 — CID 133347945

IUPAC2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile
SMILESCOc1cc(OC)c2cc(CCCNc3ncccc3C#N)[nH]c2c1
InChIInChI=1S/C19H20N4O2/c1-24-15-10-17-16(18(11-15)25-2)9-14(23-17)6-4-8-22-19-13(12-20)5-3-7-21-19/h3,5,7,9-11,23H,4,6,8H2,1-2H3,(H,21,22)
InChIKeyRWWZSCIPHDCNNO-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.50
Rot. Bonds7

About 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile

2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile (PubChem CID 133347945) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile
PubChem CID133347945
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile
SMILESCOc1cc(OC)c2cc(CCCNc3ncccc3C#N)[nH]c2c1
InChIInChI=1S/C19H20N4O2/c1-24-15-10-17-16(18(11-15)25-2)9-14(23-17)6-4-8-22-19-13(12-20)5-3-7-21-19/h3,5,7,9-11,23H,4,6,8H2,1-2H3,(H,21,22)
InChIKeyRWWZSCIPHDCNNO-UHFFFAOYSA-N
XLogP3.50
TPSA82.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile (CID 133347945) is 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile is COc1cc(OC)c2cc(CCCNc3ncccc3C#N)[nH]c2c1.
What is the InChIKey of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile?
The InChIKey is RWWZSCIPHDCNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-24-15-10-17-16(18(11-15)25-2)9-14(23-17)6-4-8-22-19-13(12-20)5-3-7-21-19/h3,5,7,9-11,23H,4,6,8H2,1-2H3,(H,21,22).
What are the key properties of 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile?
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133347945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).