2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide

C24H28N4O — CID 156893603

IUPAC2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(c1ccc(C(C)(C)C)cc1)C(C(=O)NCc1ccccn1)c1cccnc1
InChIInChI=1S/C24H28N4O/c1-24(2,3)19-10-12-21(13-11-19)28(4)22(18-8-7-14-25-16-18)23(29)27-17-20-9-5-6-15-26-20/h5-16,22H,17H2,1-4H3,(H,27,29)
InChIKeyQHIRJCLYXLJBAC-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.27
Rot. Bonds6

About 2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide

2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 156893603) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID156893603
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(c1ccc(C(C)(C)C)cc1)C(C(=O)NCc1ccccn1)c1cccnc1
InChIInChI=1S/C24H28N4O/c1-24(2,3)19-10-12-21(13-11-19)28(4)22(18-8-7-14-25-16-18)23(29)27-17-20-9-5-6-15-26-20/h5-16,22H,17H2,1-4H3,(H,27,29)
InChIKeyQHIRJCLYXLJBAC-UHFFFAOYSA-N
XLogP4.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butyl-N-methylanilino)-N-(3-hydroxy-1,3-dimethylcyclobutyl)-2-pyridin-3-ylacetamide
CID 156894280
2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-4-ylmethyl)acetamide;2-formylpyrrolidine-1-carbonitrile
CID 156892763
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 125054382
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide
CID 45489437
2-(dimethylamino)-N-[(2-methylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 110753901
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide
CID 45489439
4-tert-butyl-N-(pyridin-2-ylmethylcarbamoyl)-N-sulfanylbenzamide
CID 89499214
N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 156894331
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 44634782
ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate
CID 156906527

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide (CID 156893603) is 2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide is CN(c1ccc(C(C)(C)C)cc1)C(C(=O)NCc1ccccn1)c1cccnc1.
What is the InChIKey of 2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is QHIRJCLYXLJBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-24(2,3)19-10-12-21(13-11-19)28(4)22(18-8-7-14-25-16-18)23(29)27-17-20-9-5-6-15-26-20/h5-16,22H,17H2,1-4H3,(H,27,29).
What are the key properties of 2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide?
2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 388.52 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 156893603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).