6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide

C23H28N4O — CID 56754487

IUPAC6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCc1ccc(C)c(-c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)c1
InChIInChI=1S/C23H28N4O/c1-16(2)22-24-11-13-27(22)12-5-10-25-23(28)19-8-9-21(26-15-19)20-14-17(3)6-7-18(20)4/h6-9,11,13-16H,5,10,12H2,1-4H3,(H,25,28)
InChIKeyJYYCOFDRXVKURT-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.51
Rot. Bonds7

About 6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide

6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 56754487) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
PubChem CID56754487
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCc1ccc(C)c(-c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)c1
InChIInChI=1S/C23H28N4O/c1-16(2)22-24-11-13-27(22)12-5-10-25-23(28)19-8-9-21(26-15-19)20-14-17(3)6-7-18(20)4/h6-9,11,13-16H,5,10,12H2,1-4H3,(H,25,28)
InChIKeyJYYCOFDRXVKURT-UHFFFAOYSA-N
XLogP4.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 56868319
6-(3-ethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56758963
6-piperidin-1-yl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56739026
6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56749613
6-(4-methyl-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 42518469
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 131936000
6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 95200014
6-[(4S)-4-methylazepan-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 95197886
6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56755506
6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56758064
1-(difluoromethyl)-5-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrrole-2-carboxamide
CID 121494848
6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide
CID 118795334

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide (CID 56754487) is 6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide is Cc1ccc(C)c(-c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)c1.
What is the InChIKey of 6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is JYYCOFDRXVKURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-16(2)22-24-11-13-27(22)12-5-10-25-23(28)19-8-9-21(26-15-19)20-14-17(3)6-7-18(20)4/h6-9,11,13-16H,5,10,12H2,1-4H3,(H,25,28).
What are the key properties of 6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 56754487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).