5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide

C24H28N4O2 — CID 172505548

IUPAC5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESCc1cccc(C(Cc2ccc(C(=O)NC3CCOCC3)nc2)c2cnc[nH]2)c1C
InChIInChI=1S/C24H28N4O2/c1-16-4-3-5-20(17(16)2)21(23-14-25-15-27-23)12-18-6-7-22(26-13-18)24(29)28-19-8-10-30-11-9-19/h3-7,13-15,19,21H,8-12H2,1-2H3,(H,25,27)(H,28,29)
InChIKeySWCHFWJUTRAQFR-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.70
Rot. Bonds6

About 5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide

5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide (PubChem CID 172505548) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide
PubChem CID172505548
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESCc1cccc(C(Cc2ccc(C(=O)NC3CCOCC3)nc2)c2cnc[nH]2)c1C
InChIInChI=1S/C24H28N4O2/c1-16-4-3-5-20(17(16)2)21(23-14-25-15-27-23)12-18-6-7-22(26-13-18)24(29)28-19-8-10-30-11-9-19/h3-7,13-15,19,21H,8-12H2,1-2H3,(H,25,27)(H,28,29)
InChIKeySWCHFWJUTRAQFR-UHFFFAOYSA-N
XLogP3.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid
CID 172505587
5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole
CID 177218655
N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide
CID 176560146
4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-hydroxybenzoic acid
CID 172505577
7-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 172505740
1-[2-[5-(2,3-dimethylphenyl)-5-(1H-imidazol-5-yl)pentoxy]ethyl]-3-methylurea
CID 176560152
N-cyclopropyl-5-ethylpyridine-2-carboxamide;ethane
CID 166088952
N-cyclopropyl-5-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109179934
4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide
CID 159697043
5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;formic acid
CID 155150082
5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide
CID 62960061
N-cyclopropyl-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109179938

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide (CID 172505548) is 5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide is Cc1cccc(C(Cc2ccc(C(=O)NC3CCOCC3)nc2)c2cnc[nH]2)c1C.
What is the InChIKey of 5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide?
The InChIKey is SWCHFWJUTRAQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16-4-3-5-20(17(16)2)21(23-14-25-15-27-23)12-18-6-7-22(26-13-18)24(29)28-19-8-10-30-11-9-19/h3-7,13-15,19,21H,8-12H2,1-2H3,(H,25,27)(H,28,29).
What are the key properties of 5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide?
5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 172505548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).