2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide

C20H23N3O2 — CID 131889049

IUPAC2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccccc1C(=O)N1CC(c2ccncc2)C1
InChIInChI=1S/C20H23N3O2/c1-3-14(2)19(24)22-18-7-5-4-6-17(18)20(25)23-12-16(13-23)15-8-10-21-11-9-15/h4-11,14,16H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyDYENMIJQMCGWNH-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.31
Rot. Bonds5

About 2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide

2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide (PubChem CID 131889049) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide
PubChem CID131889049
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccccc1C(=O)N1CC(c2ccncc2)C1
InChIInChI=1S/C20H23N3O2/c1-3-14(2)19(24)22-18-7-5-4-6-17(18)20(25)23-12-16(13-23)15-8-10-21-11-9-15/h4-11,14,16H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyDYENMIJQMCGWNH-UHFFFAOYSA-N
XLogP3.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256771
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119717968
N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 131907011
2-[[(2R)-2-methylbutanoyl]amino]benzoate
CID 6978566
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide
CID 60547227
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
methyl 2-(2-methylpentanoylamino)benzoate
CID 2904418
N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]pentanamide
CID 43903944
2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 131939573
N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide
CID 121200746
N-(2-acetylphenyl)-2-methylpentanamide
CID 43183491
(2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 119068199

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide (CID 131889049) is 2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide is CCC(C)C(=O)Nc1ccccc1C(=O)N1CC(c2ccncc2)C1.
What is the InChIKey of 2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide?
The InChIKey is DYENMIJQMCGWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-14(2)19(24)22-18-7-5-4-6-17(18)20(25)23-12-16(13-23)15-8-10-21-11-9-15/h4-11,14,16H,3,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide?
2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide has a molecular weight of 337.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 131889049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).