3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide

C18H22N2O2 — CID 110724921

IUPAC3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)14-7-4-13(5-8-14)6-10-17(22)20-15-9-11-16(21)19-12-15/h4-5,7-9,11-12H,6,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyJFZRPCTYUQFWQV-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.24
Rot. Bonds4

About 3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide

3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 110724921) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide
PubChem CID110724921
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)14-7-4-13(5-8-14)6-10-17(22)20-15-9-11-16(21)19-12-15/h4-5,7-9,11-12H,6,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyJFZRPCTYUQFWQV-UHFFFAOYSA-N
XLogP3.24
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-oxo-1H-pyridin-3-yl)-3-phenylpropanamide
CID 110724889
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide
CID 17466693
3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 46568652
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide
CID 55532868
3-(4-tert-butylphenyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]propanamide
CID 25337492
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190
4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide
CID 56517357
4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780731
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide (CID 110724921) is 3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2ccc(=O)[nH]c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is JFZRPCTYUQFWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,3)14-7-4-13(5-8-14)6-10-17(22)20-15-9-11-16(21)19-12-15/h4-5,7-9,11-12H,6,10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide?
3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 110724921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).