1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

C22H27N3O2 — CID 71715924

IUPAC1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCCC(C)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc21
InChIInChI=1S/C22H27N3O2/c1-6-15(4)25-16(5)20(17-9-7-8-10-19(17)25)22(27)23-12-18-13(2)11-14(3)24-21(18)26/h7-11,15H,6,12H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyMYWNZTHIEBCRIC-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.16
Rot. Bonds5

About 1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 71715924) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
PubChem CID71715924
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCCC(C)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc21
InChIInChI=1S/C22H27N3O2/c1-6-15(4)25-16(5)20(17-9-7-8-10-19(17)25)22(27)23-12-18-13(2)11-14(3)24-21(18)26/h7-11,15H,6,12H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyMYWNZTHIEBCRIC-UHFFFAOYSA-N
XLogP4.16
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The IUPAC name of 1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 71715924) is 1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is CCC(C)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc21.
What is the InChIKey of 1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The InChIKey is MYWNZTHIEBCRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-6-15(4)25-16(5)20(17-9-7-8-10-19(17)25)22(27)23-12-18-13(2)11-14(3)24-21(18)26/h7-11,15H,6,12H2,1-5H3,(H,23,27)(H,24,26).
What are the key properties of 1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 71715924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).