[5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

C24H25N3O — CID 109239741

IUPAC[5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCC(C)N(Cc1ccccc1)c1cncc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H25N3O/c1-18(2)27(17-19-8-4-3-5-9-19)22-14-21(15-25-16-22)24(28)26-13-12-20-10-6-7-11-23(20)26/h3-11,14-16,18H,12-13,17H2,1-2H3
InChIKeyUBTCWQILFMKXEK-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.70
Rot. Bonds5

About [5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

[5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109239741) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is [5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID109239741
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name[5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCC(C)N(Cc1ccccc1)c1cncc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H25N3O/c1-18(2)27(17-19-8-4-3-5-9-19)22-14-21(15-25-16-22)24(28)26-13-12-20-10-6-7-11-23(20)26/h3-11,14-16,18H,12-13,17H2,1-2H3
InChIKeyUBTCWQILFMKXEK-UHFFFAOYSA-N
XLogP4.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[5-(dipropylamino)-3-pyridinyl]methanone
CID 109241027
4-[5-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230766
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396
[2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109258457
2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230309
N-benzyl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 108991209
2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
CID 109235678
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381
N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide
CID 109102375
2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone
CID 109240141
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903

Frequently Asked Questions

What is the IUPAC name of [5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 109239741) is [5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is CC(C)N(Cc1ccccc1)c1cncc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of [5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is UBTCWQILFMKXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-18(2)27(17-19-8-4-3-5-9-19)22-14-21(15-25-16-22)24(28)26-13-12-20-10-6-7-11-23(20)26/h3-11,14-16,18H,12-13,17H2,1-2H3.
What are the key properties of [5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 371.48 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109239741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).