2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide

C21H18ClN3O3 — CID 167817994

IUPAC2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2Oc2ccccc2C(N)=O)c(Cl)c1C
InChIInChI=1S/C21H18ClN3O3/c1-12-9-10-16(18(22)13(12)2)25-20(27)15-7-5-11-24-21(15)28-17-8-4-3-6-14(17)19(23)26/h3-11H,1-2H3,(H2,23,26)(H,25,27)
InChIKeyNIPWJFWOICDPME-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.50
Rot. Bonds5

About 2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide

2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 167817994) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide
PubChem CID167817994
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2Oc2ccccc2C(N)=O)c(Cl)c1C
InChIInChI=1S/C21H18ClN3O3/c1-12-9-10-16(18(22)13(12)2)25-20(27)15-7-5-11-24-21(15)28-17-8-4-3-6-14(17)19(23)26/h3-11H,1-2H3,(H2,23,26)(H,25,27)
InChIKeyNIPWJFWOICDPME-UHFFFAOYSA-N
XLogP4.50
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methylphenoxy)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 134116749
2-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
CID 63734333
N-(3-acetamido-2-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 33241731
N-(2,4-dichlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 612195
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 9097781
N-(4-bromo-2-carbamothioylphenyl)-2-methoxypyridine-3-carboxamide
CID 82695069
3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 43350893
2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide
CID 61038453
N-(4-chloro-1H-indazol-5-yl)-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 166365276
N-(2-carbamoyl-4-ethoxyphenyl)-2-propan-2-yloxypyridine-3-carboxamide
CID 119052734

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide (CID 167817994) is 2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccnc2Oc2ccccc2C(N)=O)c(Cl)c1C.
What is the InChIKey of 2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is NIPWJFWOICDPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-12-9-10-16(18(22)13(12)2)25-20(27)15-7-5-11-24-21(15)28-17-8-4-3-6-14(17)19(23)26/h3-11H,1-2H3,(H2,23,26)(H,25,27).
What are the key properties of 2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide?
2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoylphenoxy)-N-(2-chloro-3,4-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 167817994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).