1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone

C19H23N3O2 — CID 167849916

IUPAC1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCc2c(NCc3cc(C)nc(C)c3)cccc21
InChIInChI=1S/C19H23N3O2/c1-13-9-15(10-14(2)21-13)11-20-17-5-4-6-18-16(17)7-8-22(18)19(23)12-24-3/h4-6,9-10,20H,7-8,11-12H2,1-3H3
InChIKeyMQTWZGMNQDGZSR-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.85
Rot. Bonds5

About 1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone

1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone (PubChem CID 167849916) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone
PubChem CID167849916
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCc2c(NCc3cc(C)nc(C)c3)cccc21
InChIInChI=1S/C19H23N3O2/c1-13-9-15(10-14(2)21-13)11-20-17-5-4-6-18-16(17)7-8-22(18)19(23)12-24-3/h4-6,9-10,20H,7-8,11-12H2,1-3H3
InChIKeyMQTWZGMNQDGZSR-UHFFFAOYSA-N
XLogP2.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

1-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid
CID 146135997
3-[3-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoylamino]phenyl]propanoic acid
CID 122089802
methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
CID 75523169
1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone
CID 171813658
2-chloro-1-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82259088
1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone
CID 167515382
3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 121204186
ethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide
CID 171813810
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542921
[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea
CID 169359260
2-ethoxy-1-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 84600007
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone (CID 167849916) is 1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone is COCC(=O)N1CCc2c(NCc3cc(C)nc(C)c3)cccc21.
What is the InChIKey of 1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone?
The InChIKey is MQTWZGMNQDGZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-9-15(10-14(2)21-13)11-20-17-5-4-6-18-16(17)7-8-22(18)19(23)12-24-3/h4-6,9-10,20H,7-8,11-12H2,1-3H3.
What are the key properties of 1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone?
1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone has a molecular weight of 325.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone is sourced from PubChem (CID 167849916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).