4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide

C21H24N2O3 — CID 159654890

IUPAC4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide
SMILESCC(=O)c1cccc(CC(=O)Cc2ccnc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C21H24N2O3/c1-14(24)17-7-5-6-15(10-17)11-18(25)12-16-8-9-22-19(13-16)20(26)23-21(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,23,26)
InChIKeyMSAWFQSLFBUFGT-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.17
Rot. Bonds6

About 4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide

4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide (PubChem CID 159654890) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide
PubChem CID159654890
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide
SMILESCC(=O)c1cccc(CC(=O)Cc2ccnc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C21H24N2O3/c1-14(24)17-7-5-6-15(10-17)11-18(25)12-16-8-9-22-19(13-16)20(26)23-21(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,23,26)
InChIKeyMSAWFQSLFBUFGT-UHFFFAOYSA-N
XLogP3.17
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide
CID 158103728
4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
CID 109089304
N-tert-butyl-4-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide
CID 159870206
N-(2-methylbut-3-yn-2-yl)-4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]pyridine-2-carboxamide
CID 162222844
N-tert-butyl-4-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxopropyl]pyridine-2-carboxamide
CID 157372721
4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide
CID 109216893
1-(3-acetylphenyl)propan-2-one
CID 12950417
N-tert-butyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 175058901
N-tert-butyl-4-[3-[3-iodo-1-[(4-methoxyphenyl)methyl]indazol-6-yl]-2-oxopropyl]pyridine-2-carboxamide
CID 165110690
2-N-tert-butyl-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109089264
4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide
CID 139348119
N-tert-butyl-4-[[2-(4-chloro-3-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139347932

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide?
The IUPAC name of 4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide (CID 159654890) is 4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide is CC(=O)c1cccc(CC(=O)Cc2ccnc(C(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of 4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide?
The InChIKey is MSAWFQSLFBUFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14(24)17-7-5-6-15(10-17)11-18(25)12-16-8-9-22-19(13-16)20(26)23-21(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,23,26).
What are the key properties of 4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide?
4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide is sourced from PubChem (CID 159654890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).