3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide

C24H24N4O — CID 24937326

IUPAC3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide
SMILESCc1ccc(-c2cc(NC(=O)c3cc(C#N)cc(C(C)(C)C)c3)cnc2C)cn1
InChIInChI=1S/C24H24N4O/c1-15-6-7-18(13-26-15)22-11-21(14-27-16(22)2)28-23(29)19-8-17(12-25)9-20(10-19)24(3,4)5/h6-11,13-14H,1-5H3,(H,28,29)
InChIKeyOJJISXCUWVGGBZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.18
Rot. Bonds3

About 3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide

3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide (PubChem CID 24937326) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide
PubChem CID24937326
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide
SMILESCc1ccc(-c2cc(NC(=O)c3cc(C#N)cc(C(C)(C)C)c3)cnc2C)cn1
InChIInChI=1S/C24H24N4O/c1-15-6-7-18(13-26-15)22-11-21(14-27-16(22)2)28-23(29)19-8-17(12-25)9-20(10-19)24(3,4)5/h6-11,13-14H,1-5H3,(H,28,29)
InChIKeyOJJISXCUWVGGBZ-UHFFFAOYSA-N
XLogP5.18
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 69034645
3-tert-butyl-5-cyano-N-[6-methyl-5-[1-[[6-(2-methylpropylamino)-3-pyridinyl]amino]ethenyl]-3-pyridinyl]benzamide
CID 89360417
5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide
CID 69164404
5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]-1-N-(3-hydroxy-2,2-dimethylpropyl)benzene-1,3-dicarboxamide
CID 69164277
N-[5-(4-acetylphenyl)-6-methyl-3-pyridinyl]-5-tert-butyl-3-cyano-2-methoxybenzamide
CID 24936823
3-cyano-N-[5-[4-(2,2-dimethylpropylsulfamoyl)phenyl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 69186747
N-[5-(5-cyano-6-methyl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130417877
2-(2-cyanopropan-2-yl)-N-[5-[6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 155216263
3-tert-butyl-5-cyano-N-[6-methyl-5-[4-(4-methylpiperazine-1-carbonyl)triazol-1-yl]-3-pyridinyl]benzamide
CID 69187596
N-[5-[6-(ethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 166656717
3-tert-butyl-5-cyanobenzoic acid
CID 24729629
2-(2-cyanopropan-2-yl)-N-[5-[5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 130417896

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide?
The IUPAC name of 3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide (CID 24937326) is 3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide?
The canonical SMILES for 3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide is Cc1ccc(-c2cc(NC(=O)c3cc(C#N)cc(C(C)(C)C)c3)cnc2C)cn1.
What is the InChIKey of 3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide?
The InChIKey is OJJISXCUWVGGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-15-6-7-18(13-26-15)22-11-21(14-27-16(22)2)28-23(29)19-8-17(12-25)9-20(10-19)24(3,4)5/h6-11,13-14H,1-5H3,(H,28,29).
What are the key properties of 3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide?
3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 24937326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).