5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide

C15H15BrN2O2 — CID 47041883

IUPAC5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C15H15BrN2O2/c1-20-14-4-2-3-11(7-14)5-6-18-15(19)12-8-13(16)10-17-9-12/h2-4,7-10H,5-6H2,1H3,(H,18,19)
InChIKeySPAPMVPZEXBSNZ-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.83
Rot. Bonds5

About 5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide

5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 47041883) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID47041883
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C15H15BrN2O2/c1-20-14-4-2-3-11(7-14)5-6-18-15(19)12-8-13(16)10-17-9-12/h2-4,7-10H,5-6H2,1H3,(H,18,19)
InChIKeySPAPMVPZEXBSNZ-UHFFFAOYSA-N
XLogP2.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
5-N-tert-butyl-3-N-[2-(3-methoxyphenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106409
N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
CID 109236721
5-[2-(3-methoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235779
N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109236720
N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235637
N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230262
5-[2-(3-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228038
N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227214
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232100
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 47041883) is 5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1cccc(CCNC(=O)c2cncc(Br)c2)c1.
What is the InChIKey of 5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is SPAPMVPZEXBSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-14-4-2-3-11(7-14)5-6-18-15(19)12-8-13(16)10-17-9-12/h2-4,7-10H,5-6H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide?
5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 47041883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).