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

C20H25N3O — CID 109217477

IUPAC[4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC(C)CCNc1ccnc(C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C20H25N3O/c1-14(2)8-10-21-17-9-11-22-18(13-17)20(24)23-15(3)12-16-6-4-5-7-19(16)23/h4-7,9,11,13-15H,8,10,12H2,1-3H3,(H,21,22)
InChIKeyWLYDFDRVIICHOG-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.13
Rot. Bonds5

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

[4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109217477) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109217477
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC(C)CCNc1ccnc(C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C20H25N3O/c1-14(2)8-10-21-17-9-11-22-18(13-17)20(24)23-15(3)12-16-6-4-5-7-19(16)23/h4-7,9,11,13-15H,8,10,12H2,1-3H3,(H,21,22)
InChIKeyWLYDFDRVIICHOG-UHFFFAOYSA-N
XLogP4.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109203595
(2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
CID 109210859
[4-(cycloheptylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217194
(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296868
[4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109222586
(2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109222608
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109086077
[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208113
[4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109222011
[4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204430
N-(3-methylbutyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089810
N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089811

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109217477) is [4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC(C)CCNc1ccnc(C(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of [4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is WLYDFDRVIICHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14(2)8-10-21-17-9-11-22-18(13-17)20(24)23-15(3)12-16-6-4-5-7-19(16)23/h4-7,9,11,13-15H,8,10,12H2,1-3H3,(H,21,22).
What are the key properties of [4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109217477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).