N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide

C16H21N3O — CID 171519130

IUPACN-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide
SMILESCc1cc2cc(CNC(=O)N3CC(C)C3)[nH]c2cc1C
InChIInChI=1S/C16H21N3O/c1-10-8-19(9-10)16(20)17-7-14-6-13-4-11(2)12(3)5-15(13)18-14/h4-6,10,18H,7-9H2,1-3H3,(H,17,20)
InChIKeyYOJINVQWKAYUJL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.95
Rot. Bonds2

About N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide

N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide (PubChem CID 171519130) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide
PubChem CID171519130
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide
SMILESCc1cc2cc(CNC(=O)N3CC(C)C3)[nH]c2cc1C
InChIInChI=1S/C16H21N3O/c1-10-8-19(9-10)16(20)17-7-14-6-13-4-11(2)12(3)5-15(13)18-14/h4-6,10,18H,7-9H2,1-3H3,(H,17,20)
InChIKeyYOJINVQWKAYUJL-UHFFFAOYSA-N
XLogP2.95
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide?
The IUPAC name of N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide (CID 171519130) is N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide.
What is the SMILES notation for N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide?
The canonical SMILES for N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide is Cc1cc2cc(CNC(=O)N3CC(C)C3)[nH]c2cc1C.
What is the InChIKey of N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide?
The InChIKey is YOJINVQWKAYUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-8-19(9-10)16(20)17-7-14-6-13-4-11(2)12(3)5-15(13)18-14/h4-6,10,18H,7-9H2,1-3H3,(H,17,20).
What are the key properties of N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide?
N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide is sourced from PubChem (CID 171519130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).