N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide

C18H21N3O2 — CID 102532470

IUPACN-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
SMILESCC(C)(C)CC(=O)Nc1cccc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C18H21N3O2/c1-18(2,3)12-16(22)20-14-10-7-11-15(19-14)21-17(23)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyJRXFWXNOWIDAIK-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.71
Rot. Bonds4

About N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide

N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide (PubChem CID 102532470) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
PubChem CID102532470
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
SMILESCC(C)(C)CC(=O)Nc1cccc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C18H21N3O2/c1-18(2,3)12-16(22)20-14-10-7-11-15(19-14)21-17(23)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyJRXFWXNOWIDAIK-UHFFFAOYSA-N
XLogP3.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide
CID 102532473
4-(dimethylamino)-N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
CID 102532472
N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide
CID 115669489
N-[6-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343745
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780
N-(6-bromo-2-pyridinyl)benzamide
CID 43520453
N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
(E)-3-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]prop-2-enoic acid
CID 109374977
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
6-benzamidopyridine-2-carboxamide
CID 69135492
N-(6-phenyl-2-pyridinyl)benzamide
CID 24949410
N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 43520523

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide?
The IUPAC name of N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide (CID 102532470) is N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide?
The canonical SMILES for N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide is CC(C)(C)CC(=O)Nc1cccc(NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide?
The InChIKey is JRXFWXNOWIDAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-18(2,3)12-16(22)20-14-10-7-11-15(19-14)21-17(23)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3,(H2,19,20,21,22,23).
What are the key properties of N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide?
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide has a molecular weight of 311.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 102532470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).