[6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

C24H23N3O — CID 133331613

IUPAC[6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(NC(c2ccccc2)C2CC2)nc1)N1CCc2ccccc21
InChIInChI=1S/C24H23N3O/c28-24(27-15-14-17-6-4-5-9-21(17)27)20-12-13-22(25-16-20)26-23(19-10-11-19)18-7-2-1-3-8-18/h1-9,12-13,16,19,23H,10-11,14-15H2,(H,25,26)
InChIKeyWPMSIVDRGRZJHY-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.85
Rot. Bonds5

About [6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

[6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 133331613) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is [6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID133331613
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name[6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(NC(c2ccccc2)C2CC2)nc1)N1CCc2ccccc21
InChIInChI=1S/C24H23N3O/c28-24(27-15-14-17-6-4-5-9-21(17)27)20-12-13-22(25-16-20)26-23(19-10-11-19)18-7-2-1-3-8-18/h1-9,12-13,16,19,23H,10-11,14-15H2,(H,25,26)
InChIKeyWPMSIVDRGRZJHY-UHFFFAOYSA-N
XLogP4.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
CID 97017175
[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133445171
2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone
CID 97316548
1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133357440
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid
CID 122052869
2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone
CID 127597666
2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone
CID 71876414
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
2,3-dihydroindol-1-yl-[6-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]methanone
CID 133302732
2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone
CID 133378058
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128

Frequently Asked Questions

What is the IUPAC name of [6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 133331613) is [6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(NC(c2ccccc2)C2CC2)nc1)N1CCc2ccccc21.
What is the InChIKey of [6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is WPMSIVDRGRZJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c28-24(27-15-14-17-6-4-5-9-21(17)27)20-12-13-22(25-16-20)26-23(19-10-11-19)18-7-2-1-3-8-18/h1-9,12-13,16,19,23H,10-11,14-15H2,(H,25,26).
What are the key properties of [6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 133331613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).