2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide

C16H17BrN2O2 — CID 103754686

IUPAC2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-3-8-21-14-9-11(2)4-5-13(14)19-16(20)12-6-7-18-15(17)10-12/h4-7,9-10H,3,8H2,1-2H3,(H,19,20)
InChIKeyGZBPBOSDFXEVAX-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.19
Rot. Bonds5

About 2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide

2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide (PubChem CID 103754686) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
PubChem CID103754686
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-3-8-21-14-9-11(2)4-5-13(14)19-16(20)12-6-7-18-15(17)10-12/h4-7,9-10H,3,8H2,1-2H3,(H,19,20)
InChIKeyGZBPBOSDFXEVAX-UHFFFAOYSA-N
XLogP4.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.19
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-methoxy-4-methylphenyl)pyridine-4-carboxamide
CID 103754736
2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 87023490
4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide
CID 55901716
2-chloro-N-(4-methyl-2-propoxyphenyl)furan-3-carboxamide
CID 106685527
4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide
CID 80534122
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide
CID 17342692
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide
CID 62233815
N-(2,4-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2600021
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide (CID 103754686) is 2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide is CCCOc1cc(C)ccc1NC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide?
The InChIKey is GZBPBOSDFXEVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-8-21-14-9-11(2)4-5-13(14)19-16(20)12-6-7-18-15(17)10-12/h4-7,9-10H,3,8H2,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide?
2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 103754686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).