1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one

C19H21N3O — CID 166912305

IUPAC1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)n1cc(CN)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C19H21N3O/c1-3-13(2)19(23)22-12-16(11-20)17-5-4-15(10-18(17)22)14-6-8-21-9-7-14/h4-10,12-13H,3,11,20H2,1-2H3
InChIKeyPEEZEADYFWDOSW-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.85
Rot. Bonds4

About 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one

1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one (PubChem CID 166912305) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one
PubChem CID166912305
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)n1cc(CN)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C19H21N3O/c1-3-13(2)19(23)22-12-16(11-20)17-5-4-15(10-18(17)22)14-6-8-21-9-7-14/h4-10,12-13H,3,11,20H2,1-2H3
InChIKeyPEEZEADYFWDOSW-UHFFFAOYSA-N
XLogP3.85
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one
CID 166912309
1-[3-(2-aminoethyl)-6-pyridin-4-ylindol-1-yl]-2,2-dimethylpropan-1-one
CID 166911646
2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid
CID 134259607
2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid;ethane
CID 142339045
2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine
CID 166911834
1-(2,2-dimethylpropanoyl)-6-pyridin-4-yl-3-[1-(sulfinatoamino)ethyl]indole
CID 166911299
1-ethyl-7-pyridin-4-yl-3,1-benzoxazine-2,4-dione
CID 10038659
2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide
CID 166911856
ethyl 1-ethyl-2-methyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate
CID 10042633
(2-chloro-5-pyridin-4-ylphenyl)methanamine
CID 67257195
2-[1-(4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinolin-3-yl]acetamide
CID 19959079
3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one
CID 15091340

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one?
The IUPAC name of 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one (CID 166912305) is 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one is CCC(C)C(=O)n1cc(CN)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one?
The InChIKey is PEEZEADYFWDOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-13(2)19(23)22-12-16(11-20)17-5-4-15(10-18(17)22)14-6-8-21-9-7-14/h4-10,12-13H,3,11,20H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one?
1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one has a molecular weight of 307.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-6-pyridin-4-ylindol-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 166912305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).