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

C17H17N3O — CID 109223844

IUPAC[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cncc(NC2CC2)c1)N1CCc2ccccc21
InChIInChI=1S/C17H17N3O/c21-17(20-8-7-12-3-1-2-4-16(12)20)13-9-15(11-18-10-13)19-14-5-6-14/h1-4,9-11,14,19H,5-8H2
InChIKeyNWRVXIMCFARUCX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.86
Rot. Bonds3

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

[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109223844) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is [5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID109223844
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cncc(NC2CC2)c1)N1CCc2ccccc21
InChIInChI=1S/C17H17N3O/c21-17(20-8-7-12-3-1-2-4-16(12)20)13-9-15(11-18-10-13)19-14-5-6-14/h1-4,9-11,14,19H,5-8H2
InChIKeyNWRVXIMCFARUCX-UHFFFAOYSA-N
XLogP2.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(cyclopropylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109223845
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396
2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
CID 109235678
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903
2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone
CID 109240141
[5-(2,5-dichloroanilino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109242444
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242383
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236521
N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 20959960
5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109106502
N-(4-chlorophenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108143

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 109223844) is [5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1cncc(NC2CC2)c1)N1CCc2ccccc21.
What is the InChIKey of [5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is NWRVXIMCFARUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-17(20-8-7-12-3-1-2-4-16(12)20)13-9-15(11-18-10-13)19-14-5-6-14/h1-4,9-11,14,19H,5-8H2.
What are the key properties of [5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109223844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).