2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide

C27H25N3O2 — CID 118383945

IUPAC2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(-c3ccccc3)cc(Oc3ccccn3)c2C)cn1
InChIInChI=1S/C27H25N3O2/c1-18-12-13-22(17-29-18)20(3)30-27(31)24-15-23(21-9-5-4-6-10-21)16-25(19(24)2)32-26-11-7-8-14-28-26/h4-17,20H,1-3H3,(H,30,31)
InChIKeyCBALFIDBXPTQQI-UHFFFAOYSA-N
MW423.52 g/mol
LogP6.04
Rot. Bonds6

About 2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide

2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide (PubChem CID 118383945) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide
PubChem CID118383945
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(-c3ccccc3)cc(Oc3ccccn3)c2C)cn1
InChIInChI=1S/C27H25N3O2/c1-18-12-13-22(17-29-18)20(3)30-27(31)24-15-23(21-9-5-4-6-10-21)16-25(19(24)2)32-26-11-7-8-14-28-26/h4-17,20H,1-3H3,(H,30,31)
InChIKeyCBALFIDBXPTQQI-UHFFFAOYSA-N
XLogP6.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(dimethylamino)methyl]-2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenylbenzamide
CID 175269067
2-methoxy-5-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91790353
3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-[(4-phenyl-1,3-thiazol-2-yl)oxy]benzamide
CID 58188373
3-[hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 58188017
3-(1,3-benzothiazol-2-yloxy)-5-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 58188271
N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 100987523
3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91760968
3-(2-cyano-4-methylphenyl)-5-[hydroxy(pyridin-2-yl)methyl]-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 58188370
2-phenoxy-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 9468013
2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 118787115
N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 52534736
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide?
The IUPAC name of 2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide (CID 118383945) is 2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide.
What is the SMILES notation for 2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide?
The canonical SMILES for 2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide is Cc1ccc(C(C)NC(=O)c2cc(-c3ccccc3)cc(Oc3ccccn3)c2C)cn1.
What is the InChIKey of 2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide?
The InChIKey is CBALFIDBXPTQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-18-12-13-22(17-29-18)20(3)30-27(31)24-15-23(21-9-5-4-6-10-21)16-25(19(24)2)32-26-11-7-8-14-28-26/h4-17,20H,1-3H3,(H,30,31).
What are the key properties of 2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide?
2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide has a molecular weight of 423.52 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-phenyl-3-pyridin-2-yloxybenzamide is sourced from PubChem (CID 118383945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).