6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide

C25H28N2O2 — CID 10249701

IUPAC6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C25H28N2O2/c1-16(2)18-6-10-21(11-7-18)27-25(28)20-8-12-23(26-15-20)22-14-19(17(3)4)9-13-24(22)29-5/h6-17H,1-5H3,(H,27,28)
InChIKeyQPHVYFVDRNRDTI-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.26
Rot. Bonds6

About 6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide

6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 10249701) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID10249701
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C25H28N2O2/c1-16(2)18-6-10-21(11-7-18)27-25(28)20-8-12-23(26-15-20)22-14-19(17(3)4)9-13-24(22)29-5/h6-17H,1-5H3,(H,27,28)
InChIKeyQPHVYFVDRNRDTI-UHFFFAOYSA-N
XLogP6.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3,4-dimethoxybenzyl)-5-(3,5-dimethylphenyl)-2,3'-bipyridine-3-carboxamide
CID 24896566
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ROCK inhibitor-2
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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide (CID 10249701) is 6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide is COc1ccc(C(C)C)cc1-c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is QPHVYFVDRNRDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-16(2)18-6-10-21(11-7-18)27-25(28)20-8-12-23(26-15-20)22-14-19(17(3)4)9-13-24(22)29-5/h6-17H,1-5H3,(H,27,28).
What are the key properties of 6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 10249701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).