5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide

C14H11BrClN3O2 — CID 60865148

IUPAC5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2cncc(Br)c2)ccc1Cl
InChIInChI=1S/C14H11BrClN3O2/c1-17-14(21)11-5-10(2-3-12(11)16)19-13(20)8-4-9(15)7-18-6-8/h2-7H,1H3,(H,17,21)(H,19,20)
InChIKeyUXDVMPNBFXWAJM-UHFFFAOYSA-N
MW368.62 g/mol
LogP3.11
Rot. Bonds3

About 5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide

5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 60865148) has the molecular formula C14H11BrClN3O2 and a molecular weight of 368.62 g/mol. Its IUPAC name is 5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID60865148
Molecular FormulaC14H11BrClN3O2
Molecular Weight368.62 g/mol
Exact Mass366.97
IUPAC Name5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2cncc(Br)c2)ccc1Cl
InChIInChI=1S/C14H11BrClN3O2/c1-17-14(21)11-5-10(2-3-12(11)16)19-13(20)8-4-9(15)7-18-6-8/h2-7H,1H3,(H,17,21)(H,19,20)
InChIKeyUXDVMPNBFXWAJM-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

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Related Compounds

5-bromo-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 731484
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
5-bromo-N-(3-carbamothioyl-4-fluorophenyl)pyridine-3-carboxamide
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5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 1227119
5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 103817189
4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60932931
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid
CID 28675243
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 107574886
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517
5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26197896

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 60865148) is 5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide is CNC(=O)c1cc(NC(=O)c2cncc(Br)c2)ccc1Cl.
What is the InChIKey of 5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is UXDVMPNBFXWAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3O2/c1-17-14(21)11-5-10(2-3-12(11)16)19-13(20)8-4-9(15)7-18-6-8/h2-7H,1H3,(H,17,21)(H,19,20).
What are the key properties of 5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-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 5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 60865148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).