3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide

C15H14BrClN2O2 — CID 107518009

IUPAC3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ncccc2Br)cc1Cl
InChIInChI=1S/C15H14BrClN2O2/c1-2-8-21-13-6-5-10(9-12(13)17)19-15(20)14-11(16)4-3-7-18-14/h3-7,9H,2,8H2,1H3,(H,19,20)
InChIKeyRICNXOZTJNOBRW-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.54
Rot. Bonds5

About 3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide

3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide (PubChem CID 107518009) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
PubChem CID107518009
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ncccc2Br)cc1Cl
InChIInChI=1S/C15H14BrClN2O2/c1-2-8-21-13-6-5-10(9-12(13)17)19-15(20)14-11(16)4-3-7-18-14/h3-7,9H,2,8H2,1H3,(H,19,20)
InChIKeyRICNXOZTJNOBRW-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688
6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
CID 62234356
4,5-dibromo-N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide
CID 80534123
4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide
CID 47267908
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 107517707
3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide
CID 107519279
2-bromo-N-(3-chloro-4-propoxyphenyl)butanamide
CID 62854145
3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
CID 107517899
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 127267538
3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 107518027

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide (CID 107518009) is 3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide is CCCOc1ccc(NC(=O)c2ncccc2Br)cc1Cl.
What is the InChIKey of 3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide?
The InChIKey is RICNXOZTJNOBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-2-8-21-13-6-5-10(9-12(13)17)19-15(20)14-11(16)4-3-7-18-14/h3-7,9H,2,8H2,1H3,(H,19,20).
What are the key properties of 3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide?
3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide has a molecular weight of 369.65 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107518009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).