N-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide

C19H19N3O2 — CID 110613579

IUPACN-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCc1cc2cc(CNC(=O)CCC(=O)c3cccnc3)ccc2[nH]1
InChIInChI=1S/C19H19N3O2/c1-13-9-16-10-14(4-5-17(16)22-13)11-21-19(24)7-6-18(23)15-3-2-8-20-12-15/h2-5,8-10,12,22H,6-7,11H2,1H3,(H,21,24)
InChIKeyJQEWHEXUDQMHRG-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.15
Rot. Bonds6

About N-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide

N-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide (PubChem CID 110613579) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide
PubChem CID110613579
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCc1cc2cc(CNC(=O)CCC(=O)c3cccnc3)ccc2[nH]1
InChIInChI=1S/C19H19N3O2/c1-13-9-16-10-14(4-5-17(16)22-13)11-21-19(24)7-6-18(23)15-3-2-8-20-12-15/h2-5,8-10,12,22H,6-7,11H2,1H3,(H,21,24)
InChIKeyJQEWHEXUDQMHRG-UHFFFAOYSA-N
XLogP3.15
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide (CID 110613579) is N-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide is Cc1cc2cc(CNC(=O)CCC(=O)c3cccnc3)ccc2[nH]1.
What is the InChIKey of N-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide?
The InChIKey is JQEWHEXUDQMHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-9-16-10-14(4-5-17(16)22-13)11-21-19(24)7-6-18(23)15-3-2-8-20-12-15/h2-5,8-10,12,22H,6-7,11H2,1H3,(H,21,24).
What are the key properties of N-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide?
N-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide has a molecular weight of 321.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110613579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).