3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide

C16H19N3O — CID 23140557

IUPAC3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
SMILESCN(C)C1CN(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C16H19N3O/c1-18(2)13-10-19(11-13)16(20)17-15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13H,10-11H2,1-2H3,(H,17,20)
InChIKeyZMFYXXNRRRXGQB-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.62
Rot. Bonds2

About 3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide

3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide (PubChem CID 23140557) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
PubChem CID23140557
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
SMILESCN(C)C1CN(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C16H19N3O/c1-18(2)13-10-19(11-13)16(20)17-15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13H,10-11H2,1-2H3,(H,17,20)
InChIKeyZMFYXXNRRRXGQB-UHFFFAOYSA-N
XLogP2.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 51128290
4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 111383892
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
(3S,4S)-1-(naphthalen-1-ylcarbamoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122073552
(3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide
CID 97279098
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate
CID 97284758
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 757117

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide (CID 23140557) is 3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide is CN(C)C1CN(C(=O)Nc2cccc3ccccc23)C1.
What is the InChIKey of 3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide?
The InChIKey is ZMFYXXNRRRXGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-18(2)13-10-19(11-13)16(20)17-15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13H,10-11H2,1-2H3,(H,17,20).
What are the key properties of 3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide?
3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide is sourced from PubChem (CID 23140557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).