[3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone

C23H24N4O — CID 118761649

IUPAC[3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESCN(C)Cc1ccc(-c2cccc(C(=O)N3CC(c4cccnc4)C3)c2)nc1
InChIInChI=1S/C23H24N4O/c1-26(2)14-17-8-9-22(25-12-17)18-5-3-6-19(11-18)23(28)27-15-21(16-27)20-7-4-10-24-13-20/h3-13,21H,14-16H2,1-2H3
InChIKeyWNZMSCUDGMCYJV-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.44
Rot. Bonds5

About [3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone

[3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone (PubChem CID 118761649) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is [3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone
PubChem CID118761649
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESCN(C)Cc1ccc(-c2cccc(C(=O)N3CC(c4cccnc4)C3)c2)nc1
InChIInChI=1S/C23H24N4O/c1-26(2)14-17-8-9-22(25-12-17)18-5-3-6-19(11-18)23(28)27-15-21(16-27)20-7-4-10-24-13-20/h3-13,21H,14-16H2,1-2H3
InChIKeyWNZMSCUDGMCYJV-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone 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

(3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72892102
(3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 72913685
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone
CID 125179666
[3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone
CID 126826318
3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
CID 125158828
3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
CID 125158827
(3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone
CID 166244720
3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
CID 125174061
4-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide
CID 125440095
3-[5-[[(3R)-1-acetylpyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid
CID 124984055
[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 146092927
(1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46190523

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone?
The IUPAC name of [3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone (CID 118761649) is [3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone.
What is the SMILES notation for [3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone?
The canonical SMILES for [3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone is CN(C)Cc1ccc(-c2cccc(C(=O)N3CC(c4cccnc4)C3)c2)nc1.
What is the InChIKey of [3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone?
The InChIKey is WNZMSCUDGMCYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-26(2)14-17-8-9-22(25-12-17)18-5-3-6-19(11-18)23(28)27-15-21(16-27)20-7-4-10-24-13-20/h3-13,21H,14-16H2,1-2H3.
What are the key properties of [3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone?
[3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone is sourced from PubChem (CID 118761649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).