(2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide

C19H23N3O — CID 125170145

IUPAC(2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide
SMILESCC[C@H](C(=O)Nc1ccc(C)cc1)N1CC(c2ccccn2)C1
InChIInChI=1S/C19H23N3O/c1-3-18(19(23)21-16-9-7-14(2)8-10-16)22-12-15(13-22)17-6-4-5-11-20-17/h4-11,15,18H,3,12-13H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyUVQGLRLQXQVPNK-GOSISDBHSA-N
MW309.41 g/mol
LogP3.21
Rot. Bonds5

About (2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide

(2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide (PubChem CID 125170145) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide
PubChem CID125170145
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide
SMILESCC[C@H](C(=O)Nc1ccc(C)cc1)N1CC(c2ccccn2)C1
InChIInChI=1S/C19H23N3O/c1-3-18(19(23)21-16-9-7-14(2)8-10-16)22-12-15(13-22)17-6-4-5-11-20-17/h4-11,15,18H,3,12-13H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyUVQGLRLQXQVPNK-GOSISDBHSA-N
XLogP3.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 17455607
5-[1-(4-methylanilino)-1-oxobutan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 91837678
N-(4-methylphenyl)-2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)butanamide
CID 50761015
(2S)-N-(4-methylphenyl)-2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)butanamide
CID 94069465
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
2-methyl-N-(4-pyridin-2-ylphenyl)propanamide
CID 110459868
N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 50757779
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477255
(2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide
CID 124754814
N,2-bis(4-methylphenyl)butanamide
CID 2750915
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
CID 11455628
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 30126358

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide?
The IUPAC name of (2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide (CID 125170145) is (2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide.
What is the SMILES notation for (2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide?
The canonical SMILES for (2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide is CC[C@H](C(=O)Nc1ccc(C)cc1)N1CC(c2ccccn2)C1.
What is the InChIKey of (2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide?
The InChIKey is UVQGLRLQXQVPNK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-18(19(23)21-16-9-7-14(2)8-10-16)22-12-15(13-22)17-6-4-5-11-20-17/h4-11,15,18H,3,12-13H2,1-2H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide?
(2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide has a molecular weight of 309.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methylphenyl)-2-(3-pyridin-2-ylazetidin-1-yl)butanamide is sourced from PubChem (CID 125170145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).