1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone

C23H22N4O — CID 23937849

IUPAC1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone
SMILESCC(=O)n1cc(CN(Cc2ccccn2)Cc2ccccn2)c2ccccc21
InChIInChI=1S/C23H22N4O/c1-18(28)27-15-19(22-10-2-3-11-23(22)27)14-26(16-20-8-4-6-12-24-20)17-21-9-5-7-13-25-21/h2-13,15H,14,16-17H2,1H3
InChIKeyRYFIECPQKRBDTC-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.29
Rot. Bonds6

About 1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone

1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone (PubChem CID 23937849) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone
PubChem CID23937849
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone
SMILESCC(=O)n1cc(CN(Cc2ccccn2)Cc2ccccn2)c2ccccc21
InChIInChI=1S/C23H22N4O/c1-18(28)27-15-19(22-10-2-3-11-23(22)27)14-26(16-20-8-4-6-12-24-20)17-21-9-5-7-13-25-21/h2-13,15H,14,16-17H2,1H3
InChIKeyRYFIECPQKRBDTC-UHFFFAOYSA-N
XLogP4.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
2-(1-acetylindol-3-yl)-1-phenylethanone
CID 15749679
2-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-hydroxy-5-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
CID 91238369
ethane;2-ethylpyridine;propan-2-one
CID 91062133
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513
osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 171575278
(NE)-N-[1-[[(2E)-2-hydroxyiminopropyl]-(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
CID 59821034
azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium
CID 10344552
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone?
The IUPAC name of 1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone (CID 23937849) is 1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone?
The canonical SMILES for 1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone is CC(=O)n1cc(CN(Cc2ccccn2)Cc2ccccn2)c2ccccc21.
What is the InChIKey of 1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone?
The InChIKey is RYFIECPQKRBDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-18(28)27-15-19(22-10-2-3-11-23(22)27)14-26(16-20-8-4-6-12-24-20)17-21-9-5-7-13-25-21/h2-13,15H,14,16-17H2,1H3.
What are the key properties of 1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone?
1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone has a molecular weight of 370.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone is sourced from PubChem (CID 23937849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).