1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine

C21H23N3 — CID 151690392

IUPAC1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine
SMILESCCn1c2c(c(Nc3ccccc3)c1-c1ccncc1)CCCC2
InChIInChI=1S/C21H23N3/c1-2-24-19-11-7-6-10-18(19)20(23-17-8-4-3-5-9-17)21(24)16-12-14-22-15-13-16/h3-5,8-9,12-15,23H,2,6-7,10-11H2,1H3
InChIKeyRCKYTYAWWXPOHR-UHFFFAOYSA-N
MW317.44 g/mol
LogP5.19
Rot. Bonds4

About 1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine

1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine (PubChem CID 151690392) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine.

Molecular Properties

Compound Name1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine
PubChem CID151690392
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine
SMILESCCn1c2c(c(Nc3ccccc3)c1-c1ccncc1)CCCC2
InChIInChI=1S/C21H23N3/c1-2-24-19-11-7-6-10-18(19)20(23-17-8-4-3-5-9-17)21(24)16-12-14-22-15-13-16/h3-5,8-9,12-15,23H,2,6-7,10-11H2,1H3
InChIKeyRCKYTYAWWXPOHR-UHFFFAOYSA-N
XLogP5.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one
CID 118607013
3-anilino-6,6-dimethyl-2-pyridin-4-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indole-4-carbaldehyde
CID 174960011
11-ethyl-7,8,9,10-tetrahydrobenzo[a]carbazole
CID 130355396
3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide
CID 146458251
3-anilino-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 139778461
5-methyl-N-phenyl-4-pyridin-4-ylpyrimidin-2-amine
CID 70484958
3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
CID 122442125
3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane
CID 144782610
1-ethyl-3-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 121214529
N-phenyl-3-pyridin-4-ylaniline
CID 118505949
N-[4-[3-anilino-1-[(4-fluorophenyl)methylsulfonylmethyl]-4-oxo-6,7-dihydro-5H-indol-2-yl]-2-pyridinyl]acetamide
CID 134563214
3-methyl-6-pyridin-4-yl-2-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]pyrimidin-4-one
CID 154632881

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine?
The IUPAC name of 1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine (CID 151690392) is 1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine.
What is the SMILES notation for 1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine?
The canonical SMILES for 1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine is CCn1c2c(c(Nc3ccccc3)c1-c1ccncc1)CCCC2.
What is the InChIKey of 1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine?
The InChIKey is RCKYTYAWWXPOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-2-24-19-11-7-6-10-18(19)20(23-17-8-4-3-5-9-17)21(24)16-12-14-22-15-13-16/h3-5,8-9,12-15,23H,2,6-7,10-11H2,1H3.
What are the key properties of 1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine?
1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine has a molecular weight of 317.44 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine is sourced from PubChem (CID 151690392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).