N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide

C24H31N3O2 — CID 146148668

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide
SMILESC=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC(C)(C)C)c1cccnc1
InChIInChI=1S/C24H31N3O2/c1-8-20(28)27(19-13-11-18(12-14-19)23(2,3)4)21(17-10-9-15-25-16-17)22(29)26-24(5,6)7/h8-16,21H,1H2,2-7H3,(H,26,29)
InChIKeyJMISWEJFSWMSOA-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.55
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide (PubChem CID 146148668) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide
PubChem CID146148668
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide
SMILESC=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC(C)(C)C)c1cccnc1
InChIInChI=1S/C24H31N3O2/c1-8-20(28)27(19-13-11-18(12-14-19)23(2,3)4)21(17-10-9-15-25-16-17)22(29)26-24(5,6)7/h8-16,21H,1H2,2-7H3,(H,26,29)
InChIKeyJMISWEJFSWMSOA-UHFFFAOYSA-N
XLogP4.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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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-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 44634782
N-[1-(5-bromo-3-pyridinyl)-2-(tert-butylamino)-2-oxoethyl]-N-(4-tert-butylphenyl)prop-2-enamide
CID 167746054
N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 46897843
(2R)-N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166510372
cis-methyl (1R,3S)-3-[[2-(4-tert-butyl-N-prop-2-enoylanilino)-2-pyridin-3-ylacetyl]amino]cyclopentane-1-carboxylate
CID 167909717
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
N-[2-(2-ethyl-6-methylanilino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 154725984
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
(2S)-N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-propanoylpyrrolidine-2-carboxamide
CID 166510341

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide (CID 146148668) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide is C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC(C)(C)C)c1cccnc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide?
The InChIKey is JMISWEJFSWMSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-8-20(28)27(19-13-11-18(12-14-19)23(2,3)4)21(17-10-9-15-25-16-17)22(29)26-24(5,6)7/h8-16,21H,1H2,2-7H3,(H,26,29).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide has a molecular weight of 393.53 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide is sourced from PubChem (CID 146148668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).