(3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide

C19H25N3O — CID 97323209

IUPAC(3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide
SMILESC[C@H](CC(=O)N(C)C)N[C@@H](C)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H25N3O/c1-14(13-19(23)22(3)4)21-15(2)16-5-7-17(8-6-16)18-9-11-20-12-10-18/h5-12,14-15,21H,13H2,1-4H3/t14-,15+/m1/s1
InChIKeyWXRKGLUVLDENIU-CABCVRRESA-N
MW311.43 g/mol
LogP3.27
Rot. Bonds6

About (3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide

(3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide (PubChem CID 97323209) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide
PubChem CID97323209
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide
SMILESC[C@H](CC(=O)N(C)C)N[C@@H](C)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H25N3O/c1-14(13-19(23)22(3)4)21-15(2)16-5-7-17(8-6-16)18-9-11-20-12-10-18/h5-12,14-15,21H,13H2,1-4H3/t14-,15+/m1/s1
InChIKeyWXRKGLUVLDENIU-CABCVRRESA-N
XLogP3.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81405917
2-(methylamino)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
CID 120704833
3-[1-(4-pyridin-4-ylphenyl)ethylamino]propanoic acid
CID 139017053
3-[methyl-[1-(4-pyridin-4-ylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122004708
(2S)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propan-1-ol
CID 93082825
N,N-dimethyl-4-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81410553
3-amino-N,N-dimethyl-3-pyridin-4-ylpropanamide
CID 83618663
ethyl 3-[[(1S)-1-(4-methylphenyl)ethyl]amino]butanoate
CID 81356889
methyl 3-[1-(4-methylphenyl)ethylamino]butanoate
CID 54963886
N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]pyridine-3-carboxamide
CID 95935601
N,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide
CID 166223288
2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81409606

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide?
The IUPAC name of (3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide (CID 97323209) is (3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide.
What is the SMILES notation for (3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide?
The canonical SMILES for (3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide is C[C@H](CC(=O)N(C)C)N[C@@H](C)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of (3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide?
The InChIKey is WXRKGLUVLDENIU-CABCVRRESA-N. The full InChI is InChI=1S/C19H25N3O/c1-14(13-19(23)22(3)4)21-15(2)16-5-7-17(8-6-16)18-9-11-20-12-10-18/h5-12,14-15,21H,13H2,1-4H3/t14-,15+/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide?
(3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide has a molecular weight of 311.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide is sourced from PubChem (CID 97323209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).