N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide

C25H23N3O — CID 35574860

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide
SMILESCN(C)c1ccc(CN(C(=O)c2cccc3ccccc23)c2ccccn2)cc1
InChIInChI=1S/C25H23N3O/c1-27(2)21-15-13-19(14-16-21)18-28(24-12-5-6-17-26-24)25(29)23-11-7-9-20-8-3-4-10-22(20)23/h3-17H,18H2,1-2H3
InChIKeyYUMJMVTVLIGWLJ-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.15
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide (PubChem CID 35574860) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide
PubChem CID35574860
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide
SMILESCN(C)c1ccc(CN(C(=O)c2cccc3ccccc23)c2ccccn2)cc1
InChIInChI=1S/C25H23N3O/c1-27(2)21-15-13-19(14-16-21)18-28(24-12-5-6-17-26-24)25(29)23-11-7-9-20-8-3-4-10-22(20)23/h3-17H,18H2,1-2H3
InChIKeyYUMJMVTVLIGWLJ-UHFFFAOYSA-N
XLogP5.15
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-N-pyridin-2-ylbenzamide
CID 35573662
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
N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide
CID 35574237
N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide
CID 35573668
N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide
CID 84596527
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
N-[(4-tert-butylphenyl)methyl]-2,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583068
3-ethoxy-N-[(4-ethylphenyl)methyl]-N-pyridin-2-ylbenzamide
CID 17012477
3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide
CID 35181360
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 34735177
[4-(dimethylamino)pyridin-1-ium-1-yl]-naphthalen-1-ylmethanone chloride
CID 10757535

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide (CID 35574860) is N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide is CN(C)c1ccc(CN(C(=O)c2cccc3ccccc23)c2ccccn2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide?
The InChIKey is YUMJMVTVLIGWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-27(2)21-15-13-19(14-16-21)18-28(24-12-5-6-17-26-24)25(29)23-11-7-9-20-8-3-4-10-22(20)23/h3-17H,18H2,1-2H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide is sourced from PubChem (CID 35574860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).