2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide

C18H21N3O2 — CID 134110201

IUPAC2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1ccccn1
InChIInChI=1S/C18H21N3O2/c1-18(2,3)17(23)21-15-10-5-4-9-14(15)16(22)20-12-13-8-6-7-11-19-13/h4-11H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyGDXDIFAXIAPRBR-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.00
Rot. Bonds4

About 2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide

2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 134110201) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID134110201
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1ccccn1
InChIInChI=1S/C18H21N3O2/c1-18(2,3)17(23)21-15-10-5-4-9-14(15)16(22)20-12-13-8-6-7-11-19-13/h4-11H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyGDXDIFAXIAPRBR-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
2-[(2-bromobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 26549863
methyl 2-[4-[[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]methyl]triazol-1-yl]acetate
CID 71911699
2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 168638648
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
N-(pyridin-2-ylmethyl)-2-[3-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102035338
3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid
CID 1494019
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963400
N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 86919838
N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518371

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide (CID 134110201) is 2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide is CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1ccccn1.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is GDXDIFAXIAPRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-18(2,3)17(23)21-15-10-5-4-9-14(15)16(22)20-12-13-8-6-7-11-19-13/h4-11H,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide?
2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 311.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 134110201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).