4-(azetidin-3-ylamino)-2-methylbenzamide

C11H15N3O — CID 81279115

IUPAC4-(azetidin-3-ylamino)-2-methylbenzamide
SMILESCc1cc(NC2CNC2)ccc1C(N)=O
InChIInChI=1S/C11H15N3O/c1-7-4-8(14-9-5-13-6-9)2-3-10(7)11(12)15/h2-4,9,13-14H,5-6H2,1H3,(H2,12,15)
InChIKeyNIGKPYBPKRGJKR-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.48
Rot. Bonds3

About 4-(azetidin-3-ylamino)-2-methylbenzamide

4-(azetidin-3-ylamino)-2-methylbenzamide (PubChem CID 81279115) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(azetidin-3-ylamino)-2-methylbenzamide.

Molecular Properties

Compound Name4-(azetidin-3-ylamino)-2-methylbenzamide
PubChem CID81279115
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-(azetidin-3-ylamino)-2-methylbenzamide
SMILESCc1cc(NC2CNC2)ccc1C(N)=O
InChIInChI=1S/C11H15N3O/c1-7-4-8(14-9-5-13-6-9)2-3-10(7)11(12)15/h2-4,9,13-14H,5-6H2,1H3,(H2,12,15)
InChIKeyNIGKPYBPKRGJKR-UHFFFAOYSA-N
XLogP0.48
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide
CID 66187502
2-(azetidin-3-ylamino)-6-methylpyridine-3-carboxamide
CID 66185642
2-methyl-4-(piperidin-4-ylmethylamino)benzamide
CID 81279242
4-(cyclopentylamino)-2-methylbenzenecarbothioamide
CID 81278916
4-(azetidin-3-ylamino)-2-fluoro-N,N-dimethylbenzamide
CID 166030505
2-methyl-4-(morpholin-2-ylmethylamino)benzamide
CID 113287167
4-[(3,5-dimethylcyclohexyl)amino]-2-methylbenzenecarbothioamide
CID 81277614
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418
1-[4-(cyclohexylamino)-2-methylphenyl]ethanone
CID 20716281
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide
CID 55152995
4-(azepan-4-ylamino)-2-methoxybenzamide
CID 23068034
4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid
CID 81272965

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylamino)-2-methylbenzamide?
The IUPAC name of 4-(azetidin-3-ylamino)-2-methylbenzamide (CID 81279115) is 4-(azetidin-3-ylamino)-2-methylbenzamide.
What is the SMILES notation for 4-(azetidin-3-ylamino)-2-methylbenzamide?
The canonical SMILES for 4-(azetidin-3-ylamino)-2-methylbenzamide is Cc1cc(NC2CNC2)ccc1C(N)=O.
What is the InChIKey of 4-(azetidin-3-ylamino)-2-methylbenzamide?
The InChIKey is NIGKPYBPKRGJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-4-8(14-9-5-13-6-9)2-3-10(7)11(12)15/h2-4,9,13-14H,5-6H2,1H3,(H2,12,15).
What are the key properties of 4-(azetidin-3-ylamino)-2-methylbenzamide?
4-(azetidin-3-ylamino)-2-methylbenzamide has a molecular weight of 205.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylamino)-2-methylbenzamide is sourced from PubChem (CID 81279115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).