2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide

C14H11BrClN3O2 — CID 103758998

IUPAC2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)c2ccnc(Br)c2)c1
InChIInChI=1S/C14H11BrClN3O2/c1-17-13(20)8-2-3-10(16)11(6-8)19-14(21)9-4-5-18-12(15)7-9/h2-7H,1H3,(H,17,20)(H,19,21)
InChIKeyJWFSIEOOIOWTGZ-UHFFFAOYSA-N
MW368.62 g/mol
LogP3.11
Rot. Bonds3

About 2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide

2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide (PubChem CID 103758998) has the molecular formula C14H11BrClN3O2 and a molecular weight of 368.62 g/mol. Its IUPAC name is 2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
PubChem CID103758998
Molecular FormulaC14H11BrClN3O2
Molecular Weight368.62 g/mol
Exact Mass366.97
IUPAC Name2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)c2ccnc(Br)c2)c1
InChIInChI=1S/C14H11BrClN3O2/c1-17-13(20)8-2-3-10(16)11(6-8)19-14(21)9-4-5-18-12(15)7-9/h2-7H,1H3,(H,17,20)(H,19,21)
InChIKeyJWFSIEOOIOWTGZ-UHFFFAOYSA-N
XLogP3.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.62
LogP ≤ 53.11
H-Bond Donors ≤ 52
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-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103753891
6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60795097
2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60794828
3-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 66484687
2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide
CID 114037407
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752467
3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60794257
2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide
CID 103751745
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 87004486
N-(5-bromo-2-chlorophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62908969
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 113255877
2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide
CID 114259076

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide (CID 103758998) is 2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide is CNC(=O)c1ccc(Cl)c(NC(=O)c2ccnc(Br)c2)c1.
What is the InChIKey of 2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
The InChIKey is JWFSIEOOIOWTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3O2/c1-17-13(20)8-2-3-10(16)11(6-8)19-14(21)9-4-5-18-12(15)7-9/h2-7H,1H3,(H,17,20)(H,19,21).
What are the key properties of 2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide has a molecular weight of 368.62 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 103758998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).