3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide

C26H29N3O3 — CID 76719433

IUPAC3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2cc(OCC3CCCO3)cc(C(=O)NC(C)c3ccc(C)nc3)c2)nc1
InChIInChI=1S/C26H29N3O3/c1-17-6-9-25(28-14-17)21-11-22(13-24(12-21)32-16-23-5-4-10-31-23)26(30)29-19(3)20-8-7-18(2)27-15-20/h6-9,11-15,19,23H,4-5,10,16H2,1-3H3,(H,29,30)
InChIKeyKRAAOKHXOVCMJG-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.81
Rot. Bonds7

About 3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide

3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide (PubChem CID 76719433) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
PubChem CID76719433
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2cc(OCC3CCCO3)cc(C(=O)NC(C)c3ccc(C)nc3)c2)nc1
InChIInChI=1S/C26H29N3O3/c1-17-6-9-25(28-14-17)21-11-22(13-24(12-21)32-16-23-5-4-10-31-23)26(30)29-19(3)20-8-7-18(2)27-15-20/h6-9,11-15,19,23H,4-5,10,16H2,1-3H3,(H,29,30)
InChIKeyKRAAOKHXOVCMJG-UHFFFAOYSA-N
XLogP4.81
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
CID 58188284
3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 118391476
N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 121397244
N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 134328277
3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide
CID 58188210
N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 121405137
N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 121397738
N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 46420066
3-[hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 58188017
N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide
CID 146501364
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxolan-2-ylmethoxy)benzamide
CID 134328164

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of 3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide (CID 76719433) is 3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for 3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for 3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide is Cc1ccc(-c2cc(OCC3CCCO3)cc(C(=O)NC(C)c3ccc(C)nc3)c2)nc1.
What is the InChIKey of 3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is KRAAOKHXOVCMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-17-6-9-25(28-14-17)21-11-22(13-24(12-21)32-16-23-5-4-10-31-23)26(30)29-19(3)20-8-7-18(2)27-15-20/h6-9,11-15,19,23H,4-5,10,16H2,1-3H3,(H,29,30).
What are the key properties of 3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide?
3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 431.54 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 76719433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).