4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one

C21H27N3O — CID 123804874

IUPAC4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(CNCc2ccc(C)c3c2ccn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C21H27N3O/c1-13(2)24-9-8-18-17(7-6-14(3)20(18)24)11-22-12-19-15(4)10-16(5)23-21(19)25/h6-10,13,22H,11-12H2,1-5H3,(H,23,25)
InChIKeyCYZFXZSJLOLVJG-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.13
Rot. Bonds5

About 4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one

4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one (PubChem CID 123804874) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one
PubChem CID123804874
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(CNCc2ccc(C)c3c2ccn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C21H27N3O/c1-13(2)24-9-8-18-17(7-6-14(3)20(18)24)11-22-12-19-15(4)10-16(5)23-21(19)25/h6-10,13,22H,11-12H2,1-5H3,(H,23,25)
InChIKeyCYZFXZSJLOLVJG-UHFFFAOYSA-N
XLogP4.13
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 134335489
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
7-hydroxy-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
CID 122448360
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylbutanamide
CID 27170074
6-bromo-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
CID 67467622
4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one
CID 163379410
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride
CID 119694321
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-isocyano-1-pentan-3-ylindole-4-carboxamide
CID 153436045
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid
CID 82526321
3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 123168676
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-propan-2-ylindole-3-carboxamide
CID 122186508
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 17482296

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one (CID 123804874) is 4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one is Cc1cc(C)c(CNCc2ccc(C)c3c2ccn3C(C)C)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one?
The InChIKey is CYZFXZSJLOLVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-13(2)24-9-8-18-17(7-6-14(3)20(18)24)11-22-12-19-15(4)10-16(5)23-21(19)25/h6-10,13,22H,11-12H2,1-5H3,(H,23,25).
What are the key properties of 4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one has a molecular weight of 337.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 123804874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).