1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide

C24H22BrN3O4 — CID 55777770

IUPAC1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1
InChIInChI=1S/C24H22BrN3O4/c1-31-19-10-8-18(9-11-19)27-23(29)21-6-3-13-28(21)24(30)16-7-12-22(26-15-16)32-20-5-2-4-17(25)14-20/h2,4-5,7-12,14-15,21H,3,6,13H2,1H3,(H,27,29)
InChIKeyIUDXTCKCOSBFFC-UHFFFAOYSA-N
MW496.36 g/mol
LogP4.89
Rot. Bonds6

About 1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide

1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 55777770) has the molecular formula C24H22BrN3O4 and a molecular weight of 496.36 g/mol. Its IUPAC name is 1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID55777770
Molecular FormulaC24H22BrN3O4
Molecular Weight496.36 g/mol
Exact Mass495.08
IUPAC Name1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1
InChIInChI=1S/C24H22BrN3O4/c1-31-19-10-8-18(9-11-19)27-23(29)21-6-3-13-28(21)24(30)16-7-12-22(26-15-16)32-20-5-2-4-17(25)14-20/h2,4-5,7-12,14-15,21H,3,6,13H2,1H3,(H,27,29)
InChIKeyIUDXTCKCOSBFFC-UHFFFAOYSA-N
XLogP4.89
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966477
(2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 131909515
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
(2S)-N-[6-(3-methoxyphenoxy)-3-pyridinyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 131915781
(2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 35702321
1-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 60553388
N-(4-methoxyphenyl)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide
CID 55965959
2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814291
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
N-(4-methoxyphenyl)-1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)pyrrolidine-2-carboxamide
CID 55965831
(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 51606138

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide (CID 55777770) is 1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCCN2C(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1.
What is the InChIKey of 1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is IUDXTCKCOSBFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O4/c1-31-19-10-8-18(9-11-19)27-23(29)21-6-3-13-28(21)24(30)16-7-12-22(26-15-16)32-20-5-2-4-17(25)14-20/h2,4-5,7-12,14-15,21H,3,6,13H2,1H3,(H,27,29).
What are the key properties of 1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 496.36 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-bromophenoxy)pyridine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55777770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).