5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

C18H20BrN3O3 — CID 86890470

IUPAC5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(=O)N(C)C)nc2C)cc1Br
InChIInChI=1S/C18H20BrN3O3/c1-11-13(6-7-15(21-11)18(24)22(2)3)17(23)20-10-12-5-8-16(25-4)14(19)9-12/h5-9H,10H2,1-4H3,(H,20,23)
InChIKeyOPAIEEIVKKLOOU-UHFFFAOYSA-N
MW406.28 g/mol
LogP2.79
Rot. Bonds5

About 5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (PubChem CID 86890470) has the molecular formula C18H20BrN3O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is 5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
PubChem CID86890470
Molecular FormulaC18H20BrN3O3
Molecular Weight406.28 g/mol
Exact Mass405.07
IUPAC Name5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(=O)N(C)C)nc2C)cc1Br
InChIInChI=1S/C18H20BrN3O3/c1-11-13(6-7-15(21-11)18(24)22(2)3)17(23)20-10-12-5-8-16(25-4)14(19)9-12/h5-9H,10H2,1-4H3,(H,20,23)
InChIKeyOPAIEEIVKKLOOU-UHFFFAOYSA-N
XLogP2.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide with MolForge

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]benzamide
CID 72547442
5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891532
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide
CID 110780657
2-N,2-N,6-trimethyl-5-N-[[2-(3-methylphenoxy)phenyl]methyl]pyridine-2,5-dicarboxamide
CID 86896413
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloropropanamide
CID 115162492
ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55746045
N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide
CID 107986307
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide
CID 55474879
N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide
CID 9305214
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]butanamide
CID 115154174
3-bromo-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735936

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (CID 86890470) is 5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is COc1ccc(CNC(=O)c2ccc(C(=O)N(C)C)nc2C)cc1Br.
What is the InChIKey of 5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The InChIKey is OPAIEEIVKKLOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3/c1-11-13(6-7-15(21-11)18(24)22(2)3)17(23)20-10-12-5-8-16(25-4)14(19)9-12/h5-9H,10H2,1-4H3,(H,20,23).
What are the key properties of 5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide has a molecular weight of 406.28 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 86890470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).