N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide

C19H23N3O2 — CID 102532473

IUPACN-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)CC(C)(C)C)n2)cc1
InChIInChI=1S/C19H23N3O2/c1-13-8-10-14(11-9-13)18(24)22-16-7-5-6-15(20-16)21-17(23)12-19(2,3)4/h5-11H,12H2,1-4H3,(H2,20,21,22,23,24)
InChIKeyOQPYFTQKMOPTBN-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.02
Rot. Bonds4

About N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide

N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide (PubChem CID 102532473) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide
PubChem CID102532473
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)CC(C)(C)C)n2)cc1
InChIInChI=1S/C19H23N3O2/c1-13-8-10-14(11-9-13)18(24)22-16-7-5-6-15(20-16)21-17(23)12-19(2,3)4/h5-11H,12H2,1-4H3,(H2,20,21,22,23,24)
InChIKeyOQPYFTQKMOPTBN-UHFFFAOYSA-N
XLogP4.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
CID 102532470
4-(dimethylamino)-N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
CID 102532472
N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide
CID 115669489
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904
3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide
CID 138710547
(E)-3-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]prop-2-enoic acid
CID 109374977
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide
CID 102139348
N-(6-methyl-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide
CID 18107198
N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275
N-(6-bromo-2-pyridinyl)-4-hydroxybenzamide
CID 43520413

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide (CID 102532473) is N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(NC(=O)CC(C)(C)C)n2)cc1.
What is the InChIKey of N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide?
The InChIKey is OQPYFTQKMOPTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-8-10-14(11-9-13)18(24)22-16-7-5-6-15(20-16)21-17(23)12-19(2,3)4/h5-11H,12H2,1-4H3,(H2,20,21,22,23,24).
What are the key properties of N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide?
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 4.02, 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]-4-methylbenzamide is sourced from PubChem (CID 102532473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).