4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide

C23H22BrN3O4 — CID 55675161

IUPAC4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C23H22BrN3O4/c1-15-3-9-19(20(13-15)30-2)31-22-10-8-18(14-26-22)27-21(28)11-12-25-23(29)16-4-6-17(24)7-5-16/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyYJDDFDUSIQONIE-UHFFFAOYSA-N
MW484.35 g/mol
LogP4.71
Rot. Bonds8

About 4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide

4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide (PubChem CID 55675161) has the molecular formula C23H22BrN3O4 and a molecular weight of 484.35 g/mol. Its IUPAC name is 4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide
PubChem CID55675161
Molecular FormulaC23H22BrN3O4
Molecular Weight484.35 g/mol
Exact Mass483.08
IUPAC Name4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C23H22BrN3O4/c1-15-3-9-19(20(13-15)30-2)31-22-10-8-18(14-26-22)27-21(28)11-12-25-23(29)16-4-6-17(24)7-5-16/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyYJDDFDUSIQONIE-UHFFFAOYSA-N
XLogP4.71
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.35
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide with MolForge

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Related Compounds

1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
CID 52627553
5-chloro-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]furan-2-carboxamide
CID 55675140
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-4-methoxybenzamide
CID 42691206
4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide
CID 9102895
N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide
CID 42691192
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 55675008
N-[3-(4-bromoanilino)-3-oxopropyl]-3-ethoxy-4-propoxybenzamide
CID 55952088
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 166204034
4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
CID 7934807
6-(4-bromophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 46488695
2-(2,4-dimethylquinolin-3-yl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 36551375
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 55674821

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide (CID 55675161) is 4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide is COc1cc(C)ccc1Oc1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cn1.
What is the InChIKey of 4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide?
The InChIKey is YJDDFDUSIQONIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O4/c1-15-3-9-19(20(13-15)30-2)31-22-10-8-18(14-26-22)27-21(28)11-12-25-23(29)16-4-6-17(24)7-5-16/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)(H,27,28).
What are the key properties of 4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide has a molecular weight of 484.35 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 55675161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).