5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide

C18H16BrN5O2 — CID 43068703

IUPAC5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide
SMILESCC(C(=O)Nc1cccc(NC(=O)c2cncc(Br)c2)c1)n1cccn1
InChIInChI=1S/C18H16BrN5O2/c1-12(24-7-3-6-21-24)17(25)22-15-4-2-5-16(9-15)23-18(26)13-8-14(19)11-20-10-13/h2-12H,1H3,(H,22,25)(H,23,26)
InChIKeyDGYLDWKYUYPUTK-UHFFFAOYSA-N
MW414.26 g/mol
LogP3.49
Rot. Bonds5

About 5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide

5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide (PubChem CID 43068703) has the molecular formula C18H16BrN5O2 and a molecular weight of 414.26 g/mol. Its IUPAC name is 5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide
PubChem CID43068703
Molecular FormulaC18H16BrN5O2
Molecular Weight414.26 g/mol
Exact Mass413.05
IUPAC Name5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide
SMILESCC(C(=O)Nc1cccc(NC(=O)c2cncc(Br)c2)c1)n1cccn1
InChIInChI=1S/C18H16BrN5O2/c1-12(24-7-3-6-21-24)17(25)22-15-4-2-5-16(9-15)23-18(26)13-8-14(19)11-20-10-13/h2-12H,1H3,(H,22,25)(H,23,26)
InChIKeyDGYLDWKYUYPUTK-UHFFFAOYSA-N
XLogP3.49
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 43064394
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959593
4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46468293
3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427808
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide
CID 46440798

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide (CID 43068703) is 5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide is CC(C(=O)Nc1cccc(NC(=O)c2cncc(Br)c2)c1)n1cccn1.
What is the InChIKey of 5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is DGYLDWKYUYPUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O2/c1-12(24-7-3-6-21-24)17(25)22-15-4-2-5-16(9-15)23-18(26)13-8-14(19)11-20-10-13/h2-12H,1H3,(H,22,25)(H,23,26).
What are the key properties of 5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide?
5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 414.26 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 43068703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).