[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

C18H21N3O — CID 109225396

IUPAC[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCC(C)Nc1cncc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H21N3O/c1-3-13(2)20-16-10-15(11-19-12-16)18(22)21-9-8-14-6-4-5-7-17(14)21/h4-7,10-13,20H,3,8-9H2,1-2H3
InChIKeyCSYPOUFJRHHSEE-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.49
Rot. Bonds4

About [5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109225396) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID109225396
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCC(C)Nc1cncc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H21N3O/c1-3-13(2)20-16-10-15(11-19-12-16)18(22)21-9-8-14-6-4-5-7-17(14)21/h4-7,10-13,20H,3,8-9H2,1-2H3
InChIKeyCSYPOUFJRHHSEE-UHFFFAOYSA-N
XLogP3.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
[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
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903
2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
CID 109235678
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242383
[5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109273397
2,3-dihydroindol-1-yl-[5-(dipropylamino)-3-pyridinyl]methanone
CID 109241027
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236521
[5-(cyclopropylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109223845
[5-(2,5-dichloroanilino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109242444

Frequently Asked Questions

What is the IUPAC name of [5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 109225396) is [5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is CCC(C)Nc1cncc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of [5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is CSYPOUFJRHHSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-13(2)20-16-10-15(11-19-12-16)18(22)21-9-8-14-6-4-5-7-17(14)21/h4-7,10-13,20H,3,8-9H2,1-2H3.
What are the key properties of [5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 295.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109225396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).