3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide

C18H21N3O2 — CID 35344360

IUPAC3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)nc1
InChIInChI=1S/C18H21N3O2/c1-12-8-9-15(19-11-12)21-16(22)13-6-5-7-14(10-13)20-17(23)18(2,3)4/h5-11H,1-4H3,(H,20,23)(H,19,21,22)
InChIKeyMBPGSYJWIKXJSH-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.63
Rot. Bonds3

About 3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide

3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 35344360) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID35344360
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)nc1
InChIInChI=1S/C18H21N3O2/c1-12-8-9-15(19-11-12)21-16(22)13-6-5-7-14(10-13)20-17(23)18(2,3)4/h5-11H,1-4H3,(H,20,23)(H,19,21,22)
InChIKeyMBPGSYJWIKXJSH-UHFFFAOYSA-N
XLogP3.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35184686
5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55790317
methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide
CID 113034958
3-acetamido-N-(5-chloro-2-pyridinyl)benzamide
CID 13177093
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide (CID 35344360) is 3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)nc1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is MBPGSYJWIKXJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-8-9-15(19-11-12)21-16(22)13-6-5-7-14(10-13)20-17(23)18(2,3)4/h5-11H,1-4H3,(H,20,23)(H,19,21,22).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide?
3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 311.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 35344360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).