2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide

C24H25N3O3 — CID 44571868

IUPAC2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C24H25N3O3/c1-16(2)15-30-21-8-4-6-18(12-21)23(28)26-19-10-9-17(3)22(13-19)24(29)27-20-7-5-11-25-14-20/h4-14,16H,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyQHAUVGUPQQFAJT-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.93
Rot. Bonds7

About 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide

2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide (PubChem CID 44571868) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide
PubChem CID44571868
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C24H25N3O3/c1-16(2)15-30-21-8-4-6-18(12-21)23(28)26-19-10-9-17(3)22(13-19)24(29)27-20-7-5-11-25-14-20/h4-14,16H,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyQHAUVGUPQQFAJT-UHFFFAOYSA-N
XLogP4.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
4-fluoro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396290
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
5-(4-Methylpiperazin-1-Yl)-2-Phenylmethoxy-~{n}-Pyridin-3-Yl-Benzamide
CID 51357515
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
ROCK inhibitor-2
CID 51003130
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
3-methoxy-N-(pyridin-3-yl)benzamide
CID 777049
2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide
CID 134823957
3-[2-(4-aminophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052465
4-fluoro-3-[2-(3-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396289

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide (CID 44571868) is 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide is Cc1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide?
The InChIKey is QHAUVGUPQQFAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16(2)15-30-21-8-4-6-18(12-21)23(28)26-19-10-9-17(3)22(13-19)24(29)27-20-7-5-11-25-14-20/h4-14,16H,15H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide?
2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide has a molecular weight of 403.48 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 44571868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).