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

C16H17BrN2O2 — CID 103752326

IUPAC2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-2-21-11-14-6-4-3-5-13(14)10-19-16(20)12-7-8-18-15(17)9-12/h3-9H,2,10-11H2,1H3,(H,19,20)
InChIKeyBIGRDSMTXCCGCN-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.31
Rot. Bonds6

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

2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 103752326) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID103752326
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-2-21-11-14-6-4-3-5-13(14)10-19-16(20)12-7-8-18-15(17)9-12/h3-9H,2,10-11H2,1H3,(H,19,20)
InChIKeyBIGRDSMTXCCGCN-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.31
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
N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 37399073
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide
CID 86938100
2-bromo-N-(quinolin-8-ylmethyl)pyridine-4-carboxamide
CID 103754997
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752430
4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 37399072
N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55753701
2-bromo-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114037435
N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 37398463
2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
CID 103755502
2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 103755038
N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 37398643

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide (CID 103752326) is 2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide is CCOCc1ccccc1CNC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is BIGRDSMTXCCGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-2-21-11-14-6-4-3-5-13(14)10-19-16(20)12-7-8-18-15(17)9-12/h3-9H,2,10-11H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide?
2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 103752326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).