2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide

C15H15BrN2O2 — CID 103752430

IUPAC2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCOCc1cccc(CNC(=O)c2ccnc(Br)c2)c1
InChIInChI=1S/C15H15BrN2O2/c1-20-10-12-4-2-3-11(7-12)9-18-15(19)13-5-6-17-14(16)8-13/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyMBFSCDATWNZJEV-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.92
Rot. Bonds5

About 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide

2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 103752430) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID103752430
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCOCc1cccc(CNC(=O)c2ccnc(Br)c2)c1
InChIInChI=1S/C15H15BrN2O2/c1-20-10-12-4-2-3-11(7-12)9-18-15(19)13-5-6-17-14(16)8-13/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyMBFSCDATWNZJEV-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752307
3-ethoxy-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479176
5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 60789641
2-bromo-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 103752408
3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61003064
3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide
CID 39271149
2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 114371778
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752326
3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide
CID 55717157
2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384629
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide (CID 103752430) is 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide is COCc1cccc(CNC(=O)c2ccnc(Br)c2)c1.
What is the InChIKey of 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is MBFSCDATWNZJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-10-12-4-2-3-11(7-12)9-18-15(19)13-5-6-17-14(16)8-13/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide?
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 103752430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).