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

C18H21N3O — CID 109203131

IUPAC2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone
SMILESCC(C)CNc1ccnc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H21N3O/c1-13(2)12-20-15-7-9-19-16(11-15)18(22)21-10-8-14-5-3-4-6-17(14)21/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,19,20)
InChIKeyIOGZLRPNUGHADA-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.35
Rot. Bonds4

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

2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone (PubChem CID 109203131) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone
PubChem CID109203131
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone
SMILESCC(C)CNc1ccnc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H21N3O/c1-13(2)12-20-15-7-9-19-16(11-15)18(22)21-10-8-14-5-3-4-6-17(14)21/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,19,20)
InChIKeyIOGZLRPNUGHADA-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109201577
2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109213671
2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
2,3-dihydroindol-1-yl-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209514
2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214592
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219564
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
[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109219554
4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109219573
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone (CID 109203131) is 2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone is CC(C)CNc1ccnc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone?
The InChIKey is IOGZLRPNUGHADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(2)12-20-15-7-9-19-16(11-15)18(22)21-10-8-14-5-3-4-6-17(14)21/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,19,20).
What are the key properties of 2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone has a molecular weight of 295.39 g/mol, XLogP of 3.35, 4 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-(2-methylpropylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109203131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).