2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone

C17H19N3O — CID 109201577

IUPAC2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCC(C)Nc1ccnc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C17H19N3O/c1-12(2)19-14-7-9-18-15(11-14)17(21)20-10-8-13-5-3-4-6-16(13)20/h3-7,9,11-12H,8,10H2,1-2H3,(H,18,19)
InChIKeyMWVXZRIULWJGSX-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.10
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone

2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone (PubChem CID 109201577) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
PubChem CID109201577
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCC(C)Nc1ccnc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C17H19N3O/c1-12(2)19-14-7-9-18-15(11-14)17(21)20-10-8-13-5-3-4-6-16(13)20/h3-7,9,11-12H,8,10H2,1-2H3,(H,18,19)
InChIKeyMWVXZRIULWJGSX-UHFFFAOYSA-N
XLogP3.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203131
2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone
CID 109219537
[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219561
2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109213671
methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109219554
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219564
4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109219573
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
2,3-dihydroindol-1-yl-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209514
[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219532

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone (CID 109201577) is 2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone is CC(C)Nc1ccnc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone?
The InChIKey is MWVXZRIULWJGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(2)19-14-7-9-18-15(11-14)17(21)20-10-8-13-5-3-4-6-16(13)20/h3-7,9,11-12H,8,10H2,1-2H3,(H,18,19).
What are the key properties of 2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone has a molecular weight of 281.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109201577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).