6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide

C22H18BrN3O3 — CID 46486838

IUPAC6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C22H18BrN3O3/c23-15-4-3-5-17(12-15)29-20-11-8-14(13-24-20)21(27)26-19-7-2-1-6-18(19)22(28)25-16-9-10-16/h1-8,11-13,16H,9-10H2,(H,25,28)(H,26,27)
InChIKeyHPUDLPYOPBNOCL-UHFFFAOYSA-N
MW452.31 g/mol
LogP4.78
Rot. Bonds6

About 6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide

6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 46486838) has the molecular formula C22H18BrN3O3 and a molecular weight of 452.31 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID46486838
Molecular FormulaC22H18BrN3O3
Molecular Weight452.31 g/mol
Exact Mass451.05
IUPAC Name6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C22H18BrN3O3/c23-15-4-3-5-17(12-15)29-20-11-8-14(13-24-20)21(27)26-19-7-2-1-6-18(19)22(28)25-16-9-10-16/h1-8,11-13,16H,9-10H2,(H,25,28)(H,26,27)
InChIKeyHPUDLPYOPBNOCL-UHFFFAOYSA-N
XLogP4.78
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119388966
2-[[6-[6-[4-[(4-bromobenzoyl)amino]cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid
CID 20602725
6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427630
6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119427629
6-(3-bromophenoxy)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 55699313
6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide
CID 55706653
6-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 46458349
6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 46459917
2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
6-(3-bromophenoxy)-N-(2-hydroxy-5-methylphenyl)pyridine-3-carboxamide
CID 60562203
2-[[6-[6-[4-(pyridine-4-carbonylamino)cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid
CID 20602752
6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 55946355

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 46486838) is 6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(Oc2cccc(Br)c2)nc1.
What is the InChIKey of 6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is HPUDLPYOPBNOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O3/c23-15-4-3-5-17(12-15)29-20-11-8-14(13-24-20)21(27)26-19-7-2-1-6-18(19)22(28)25-16-9-10-16/h1-8,11-13,16H,9-10H2,(H,25,28)(H,26,27).
What are the key properties of 6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide?
6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 452.31 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 46486838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).