4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile

C19H20N4O — CID 58088593

IUPAC4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile
SMILESCNCCC(c1cccnc1)c1c[nH]c2c(C#N)ccc(OC)c12
InChIInChI=1S/C19H20N4O/c1-21-9-7-15(14-4-3-8-22-11-14)16-12-23-19-13(10-20)5-6-17(24-2)18(16)19/h3-6,8,11-12,15,21,23H,7,9H2,1-2H3
InChIKeyQBFYBMIENHSNMH-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.18
Rot. Bonds6

About 4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile

4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile (PubChem CID 58088593) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile
PubChem CID58088593
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile
SMILESCNCCC(c1cccnc1)c1c[nH]c2c(C#N)ccc(OC)c12
InChIInChI=1S/C19H20N4O/c1-21-9-7-15(14-4-3-8-22-11-14)16-12-23-19-13(10-20)5-6-17(24-2)18(16)19/h3-6,8,11-12,15,21,23H,7,9H2,1-2H3
InChIKeyQBFYBMIENHSNMH-UHFFFAOYSA-N
XLogP3.18
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 46178830
3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088539
2-methoxy-5-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
CID 79032872
2-methoxy-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
CID 106787758
2-methoxy-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
CID 106787757
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 46178745
3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 59831836
N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 16725756
4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine
CID 58088594
2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 116824754
2-(7-cyano-4-methoxy-1H-indol-3-yl)-2-oxoacetic acid
CID 59999563
3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 58088581

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile?
The IUPAC name of 4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile (CID 58088593) is 4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile.
What is the SMILES notation for 4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile?
The canonical SMILES for 4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile is CNCCC(c1cccnc1)c1c[nH]c2c(C#N)ccc(OC)c12.
What is the InChIKey of 4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile?
The InChIKey is QBFYBMIENHSNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-21-9-7-15(14-4-3-8-22-11-14)16-12-23-19-13(10-20)5-6-17(24-2)18(16)19/h3-6,8,11-12,15,21,23H,7,9H2,1-2H3.
What are the key properties of 4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile?
4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile has a molecular weight of 320.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile is sourced from PubChem (CID 58088593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).