N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide

C22H23ClFN3O4 — CID 176846877

IUPACN-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
InChIInChI=1S/C22H23ClFN3O4/c1-22(2,13-4-7-18(31-3)25-11-13)21(30)26-10-12-8-15(23)19(16(24)9-12)14-5-6-17(28)27-20(14)29/h4,7-9,11,14H,5-6,10H2,1-3H3,(H,26,30)(H,27,28,29)
InChIKeyPJXOZFWQMBZDDV-UHFFFAOYSA-N
MW447.89 g/mol
LogP3.00
Rot. Bonds6

About N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide

N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide (PubChem CID 176846877) has the molecular formula C22H23ClFN3O4 and a molecular weight of 447.89 g/mol. Its IUPAC name is N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide
PubChem CID176846877
Molecular FormulaC22H23ClFN3O4
Molecular Weight447.89 g/mol
Exact Mass447.14
IUPAC NameN-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
InChIInChI=1S/C22H23ClFN3O4/c1-22(2,13-4-7-18(31-3)25-11-13)21(30)26-10-12-8-15(23)19(16(24)9-12)14-5-6-17(28)27-20(14)29/h4,7-9,11,14H,5-6,10H2,1-3H3,(H,26,30)(H,27,28,29)
InChIKeyPJXOZFWQMBZDDV-UHFFFAOYSA-N
XLogP3.00
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.89
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-N-[4,4-difluoro-1-(6-fluoro-pyridin-3-yl)-cyclohexylmethyl]-5-methoxy-benzamide
CID 86716271
2,3-Dichloro-N-[4,4-difluoro-1-(6-methoxy-pyridin-3-yl)-cyclohexylmethyl]-benzamide
CID 86716277
8-Chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one
CID 53320818
8-Chloro-6-(6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one
CID 53322149
4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide
CID 164618143
4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide
CID 164622087
1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide
CID 71495829
N-[(3-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
CID 71698893
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
CID 71698894
3-chloro-4-((2S)-2-(dimethylamino)-3-(3-(6-methoxypyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl) propanamido)propyl)-N-methylbenzamide
CID 165405400
2-(2-Chloro-6-fluorophenyl)-N-[(2-methoxypyridin-3-YL)methyl]acetamide
CID 53184849
3-chloro-4-[(2S)-2-(dimethylamino)-3-[3-(6-methoxypyridin-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamido]propyl]benzamide
CID 165405139

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide?
The IUPAC name of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide (CID 176846877) is N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide?
The canonical SMILES for N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide is COc1ccc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1.
What is the InChIKey of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide?
The InChIKey is PJXOZFWQMBZDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O4/c1-22(2,13-4-7-18(31-3)25-11-13)21(30)26-10-12-8-15(23)19(16(24)9-12)14-5-6-17(28)27-20(14)29/h4,7-9,11,14H,5-6,10H2,1-3H3,(H,26,30)(H,27,28,29).
What are the key properties of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide?
N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide has a molecular weight of 447.89 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 176846877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).