N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide

C19H21N3O2 — CID 102139348

IUPACN-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide
SMILESC=Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)(C)C)n2)cc1
InChIInChI=1S/C19H21N3O2/c1-5-13-9-11-14(12-10-13)17(23)21-15-7-6-8-16(20-15)22-18(24)19(2,3)4/h5-12H,1H2,2-4H3,(H2,20,21,22,23,24)
InChIKeyMDKMCBVNITYKQW-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.96
Rot. Bonds4

About N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide

N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide (PubChem CID 102139348) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide.

Molecular Properties

Compound NameN-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide
PubChem CID102139348
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide
SMILESC=Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)(C)C)n2)cc1
InChIInChI=1S/C19H21N3O2/c1-5-13-9-11-14(12-10-13)17(23)21-15-7-6-8-16(20-15)22-18(24)19(2,3)4/h5-12H,1H2,2-4H3,(H2,20,21,22,23,24)
InChIKeyMDKMCBVNITYKQW-UHFFFAOYSA-N
XLogP3.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(6-phosphanyl-2-pyridinyl)propanamide
CID 70898428
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide
CID 102532473
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
CID 102532470
4-ethenyl-N-(2-methylphenyl)benzamide
CID 12541509
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904
4-(dimethylamino)-N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
CID 102532472
N-(4-ethenylphenyl)-4-(2-methylbutan-2-yl)benzamide
CID 59270019
3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide
CID 2767546
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide
CID 4320566
N-tert-butyl-1-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]methanimine oxide
CID 59013576
2,2-dimethyl-N-[6-(nitrosomethyl)-2-pyridinyl]propanamide
CID 90865597
2-N,6-N-bis(4-ethenylphenyl)pyridine-2,6-dicarboxamide
CID 156600187

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide?
The IUPAC name of N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide (CID 102139348) is N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide.
What is the SMILES notation for N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide?
The canonical SMILES for N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide is C=Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)(C)C)n2)cc1.
What is the InChIKey of N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide?
The InChIKey is MDKMCBVNITYKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-5-13-9-11-14(12-10-13)17(23)21-15-7-6-8-16(20-15)22-18(24)19(2,3)4/h5-12H,1H2,2-4H3,(H2,20,21,22,23,24).
What are the key properties of N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide?
N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide has a molecular weight of 323.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-4-ethenylbenzamide is sourced from PubChem (CID 102139348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).