5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide

C16H11BrClN5O2 — CID 56506893

IUPAC5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2)n1
InChIInChI=1S/C16H11BrClN5O2/c17-9-7-12(14(18)20-8-9)16(25)21-10-1-3-11(4-2-10)23-6-5-13(22-23)15(19)24/h1-8H,(H2,19,24)(H,21,25)
InChIKeyIHKSUOOYXUFHOI-UHFFFAOYSA-N
MW420.65 g/mol
LogP3.03
Rot. Bonds4

About 5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide

5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide (PubChem CID 56506893) has the molecular formula C16H11BrClN5O2 and a molecular weight of 420.65 g/mol. Its IUPAC name is 5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide
PubChem CID56506893
Molecular FormulaC16H11BrClN5O2
Molecular Weight420.65 g/mol
Exact Mass418.98
IUPAC Name5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2)n1
InChIInChI=1S/C16H11BrClN5O2/c17-9-7-12(14(18)20-8-9)16(25)21-10-1-3-11(4-2-10)23-6-5-13(22-23)15(19)24/h1-8H,(H2,19,24)(H,21,25)
InChIKeyIHKSUOOYXUFHOI-UHFFFAOYSA-N
XLogP3.03
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.65
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
CID 59781136
N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86887856
5-bromo-2-chloropyridine-3-carboxamide
CID 12629794
5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
CID 62000422
1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide
CID 64780351
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 62000829
5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide
CID 107300867
5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208
1-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 56507280
1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide
CID 168608349
5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 52780386

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide (CID 56506893) is 5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide is NC(=O)c1ccn(-c2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2)n1.
What is the InChIKey of 5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide?
The InChIKey is IHKSUOOYXUFHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN5O2/c17-9-7-12(14(18)20-8-9)16(25)21-10-1-3-11(4-2-10)23-6-5-13(22-23)15(19)24/h1-8H,(H2,19,24)(H,21,25).
What are the key properties of 5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide?
5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide has a molecular weight of 420.65 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 56506893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).