N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide

C22H23N3O2 — CID 35573662

IUPACN-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc1
InChIInChI=1S/C22H23N3O2/c1-24(2)19-11-7-17(8-12-19)16-25(21-6-4-5-15-23-21)22(26)18-9-13-20(27-3)14-10-18/h4-15H,16H2,1-3H3
InChIKeyWLBCNBXOWQTJSY-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.00
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide

N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide (PubChem CID 35573662) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide
PubChem CID35573662
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc1
InChIInChI=1S/C22H23N3O2/c1-24(2)19-11-7-17(8-12-19)16-25(21-6-4-5-15-23-21)22(26)18-9-13-20(27-3)14-10-18/h4-15H,16H2,1-3H3
InChIKeyWLBCNBXOWQTJSY-UHFFFAOYSA-N
XLogP4.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide
CID 35573441
4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide
CID 35573650
3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide
CID 35181360
N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide
CID 35574860
2-pyridin-2-yloxyethyl N-[[4-(dimethylamino)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 170312640
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
3-ethoxy-N-[(4-ethylphenyl)methyl]-N-pyridin-2-ylbenzamide
CID 17012477
4-(dimethylamino)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 7595722
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
3-N,5-N-bis[[4-(dimethylamino)phenyl]methyl]-3-N,5-N-bis[(4-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 164739686
4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide
CID 154811127
N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide
CID 35573668

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide (CID 35573662) is N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide is COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide?
The InChIKey is WLBCNBXOWQTJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-24(2)19-11-7-17(8-12-19)16-25(21-6-4-5-15-23-21)22(26)18-9-13-20(27-3)14-10-18/h4-15H,16H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide?
N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 35573662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).