N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide

C23H25N3O — CID 43035328

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C23H25N3O/c1-17-21(14-15-22(24-17)19-8-6-5-7-9-19)23(27)26(4)16-18-10-12-20(13-11-18)25(2)3/h5-15H,16H2,1-4H3
InChIKeyKRYPLRAERPLTAA-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.40
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide (PubChem CID 43035328) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide
PubChem CID43035328
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C23H25N3O/c1-17-21(14-15-22(24-17)19-8-6-5-7-9-19)23(27)26(4)16-18-10-12-20(13-11-18)25(2)3/h5-15H,16H2,1-4H3
InChIKeyKRYPLRAERPLTAA-UHFFFAOYSA-N
XLogP4.40
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide
CID 24532594
2-methyl-3-[methyl-(2-methyl-6-phenylpyridine-3-carbonyl)amino]propanoic acid
CID 120524243
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648948
N-benzyl-N-(2-hydroxyethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78855200
N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide
CID 166198818
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78801211
6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 36933832
N,N-bis(2-methoxyethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 86912287
6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 31849870
2-[benzyl(methyl)amino]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-phenylpyridine-3-carboxamide
CID 28738025
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 34735177
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 35745385

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide (CID 43035328) is N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide is Cc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide?
The InChIKey is KRYPLRAERPLTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17-21(14-15-22(24-17)19-8-6-5-7-9-19)23(27)26(4)16-18-10-12-20(13-11-18)25(2)3/h5-15H,16H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.40, 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,2-dimethyl-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 43035328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).