1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one

C24H23N3O — CID 152802413

IUPAC1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one
SMILESCCc1c(-c2cccc(CC(C)=O)c2)cnc(N)c1-c1ccc2c(c1)CN=C2
InChIInChI=1S/C24H23N3O/c1-3-21-22(17-6-4-5-16(10-17)9-15(2)28)14-27-24(25)23(21)18-7-8-19-12-26-13-20(19)11-18/h4-8,10-12,14H,3,9,13H2,1-2H3,(H2,25,27)
InChIKeySOGSCVBJZJCKCK-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.62
Rot. Bonds5

About 1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one

1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one (PubChem CID 152802413) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one
PubChem CID152802413
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one
SMILESCCc1c(-c2cccc(CC(C)=O)c2)cnc(N)c1-c1ccc2c(c1)CN=C2
InChIInChI=1S/C24H23N3O/c1-3-21-22(17-6-4-5-16(10-17)9-15(2)28)14-27-24(25)23(21)18-7-8-19-12-26-13-20(19)11-18/h4-8,10-12,14H,3,9,13H2,1-2H3,(H2,25,27)
InChIKeySOGSCVBJZJCKCK-UHFFFAOYSA-N
XLogP4.62
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 159855292
CID 159855292
4-[2-amino-5-[3-[(dimethylamino)methyl]phenyl]-4-ethyl-3-pyridinyl]phenol
CID 122531736
N-[3-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide
CID 122531765
2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid
CID 155500382
5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole
CID 146848486
5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile
CID 122531732
1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one
CID 84671437
5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine
CID 126656197
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
1-(3-phosphanylphenyl)propan-2-one
CID 142179381
3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one
CID 162147656
acetic acid;4-N-[7-[3-(methylsulfonylmethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 159948025

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one?
The IUPAC name of 1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one (CID 152802413) is 1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one?
The canonical SMILES for 1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one is CCc1c(-c2cccc(CC(C)=O)c2)cnc(N)c1-c1ccc2c(c1)CN=C2.
What is the InChIKey of 1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one?
The InChIKey is SOGSCVBJZJCKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-3-21-22(17-6-4-5-16(10-17)9-15(2)28)14-27-24(25)23(21)18-7-8-19-12-26-13-20(19)11-18/h4-8,10-12,14H,3,9,13H2,1-2H3,(H2,25,27).
What are the key properties of 1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one?
1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one has a molecular weight of 369.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-amino-4-ethyl-5-(3H-isoindol-5-yl)-3-pyridinyl]phenyl]propan-2-one is sourced from PubChem (CID 152802413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).