N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide

C28H34N4O2 — CID 44634782

IUPACN-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)Cc1cccnc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H34N4O2/c1-27(2,3)22-11-13-23(14-12-22)32(24(33)17-20-9-7-15-29-18-20)25(21-10-8-16-30-19-21)26(34)31-28(4,5)6/h7-16,18-19,25H,17H2,1-6H3,(H,31,34)
InChIKeyGSBNODHLQRQDEI-UHFFFAOYSA-N
MW458.61 g/mol
LogP5.01
Rot. Bonds6

About N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide

N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide (PubChem CID 44634782) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide
PubChem CID44634782
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)Cc1cccnc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H34N4O2/c1-27(2,3)22-11-13-23(14-12-22)32(24(33)17-20-9-7-15-29-18-20)25(21-10-8-16-30-19-21)26(34)31-28(4,5)6/h7-16,18-19,25H,17H2,1-6H3,(H,31,34)
InChIKeyGSBNODHLQRQDEI-UHFFFAOYSA-N
XLogP5.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide
CID 45489437
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide
CID 45489439
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide
CID 146148668
N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 46897843
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-3-methylbutanamide;2,2,2-trifluoroacetic acid
CID 45489409
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 45489448
(2S)-N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-propanoylpyrrolidine-2-carboxamide
CID 166510341
N-(4-butan-2-ylphenyl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 46897842
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-3-methylfuran-2-carboxamide;2,2,2-trifluoroacetic acid
CID 45489395
(2R)-N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166510372
2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide
CID 166816086
N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 156894331

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide?
The IUPAC name of N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide (CID 44634782) is N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide is CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)Cc1cccnc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide?
The InChIKey is GSBNODHLQRQDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-27(2,3)22-11-13-23(14-12-22)32(24(33)17-20-9-7-15-29-18-20)25(21-10-8-16-30-19-21)26(34)31-28(4,5)6/h7-16,18-19,25H,17H2,1-6H3,(H,31,34).
What are the key properties of N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide?
N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide has a molecular weight of 458.61 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 44634782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).