N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide

C14H17N3O2 — CID 146105714

IUPACN-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide
SMILESCN1C(=O)Cc2cc(CNC(=O)N3CCC3)ccc21
InChIInChI=1S/C14H17N3O2/c1-16-12-4-3-10(7-11(12)8-13(16)18)9-15-14(19)17-5-2-6-17/h3-4,7H,2,5-6,8-9H2,1H3,(H,15,19)
InChIKeyDJCIYMRXMNYERF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.12
Rot. Bonds2

About N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide

N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide (PubChem CID 146105714) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide
PubChem CID146105714
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide
SMILESCN1C(=O)Cc2cc(CNC(=O)N3CCC3)ccc21
InChIInChI=1S/C14H17N3O2/c1-16-12-4-3-10(7-11(12)8-13(16)18)9-15-14(19)17-5-2-6-17/h3-4,7H,2,5-6,8-9H2,1H3,(H,15,19)
InChIKeyDJCIYMRXMNYERF-UHFFFAOYSA-N
XLogP1.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
2-cyclopentyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]pyrrolidine-1-carboxamide
CID 146105715
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110768313
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
CID 110781420
4-methyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]benzamide
CID 110781426
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82477992
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one
CID 110799888
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide?
The IUPAC name of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide (CID 146105714) is N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide is CN1C(=O)Cc2cc(CNC(=O)N3CCC3)ccc21.
What is the InChIKey of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide?
The InChIKey is DJCIYMRXMNYERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-12-4-3-10(7-11(12)8-13(16)18)9-15-14(19)17-5-2-6-17/h3-4,7H,2,5-6,8-9H2,1H3,(H,15,19).
What are the key properties of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide?
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 146105714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).