3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide

C14H16BrN5O — CID 107520067

IUPAC3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cnn(C2CCNCC2)c1)c1ncccc1Br
InChIInChI=1S/C14H16BrN5O/c15-12-2-1-5-17-13(12)14(21)19-10-8-18-20(9-10)11-3-6-16-7-4-11/h1-2,5,8-9,11,16H,3-4,6-7H2,(H,19,21)
InChIKeyMFKNDQIAZGYOMP-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.22
Rot. Bonds3

About 3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide

3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 107520067) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is 3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID107520067
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC Name3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cnn(C2CCNCC2)c1)c1ncccc1Br
InChIInChI=1S/C14H16BrN5O/c15-12-2-1-5-17-13(12)14(21)19-10-8-18-20(9-10)11-3-6-16-7-4-11/h1-2,5,8-9,11,16H,3-4,6-7H2,(H,19,21)
InChIKeyMFKNDQIAZGYOMP-UHFFFAOYSA-N
XLogP2.22
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-piperidin-4-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166243214
N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide
CID 107990454
N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide
CID 166211763
3-bromo-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
CID 107520277
5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 151577657
2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide
CID 166298550
2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine
CID 166160032
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 167966444
2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide
CID 166211770
2-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide
CID 140776997
3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 107518403
3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 107520198

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide (CID 107520067) is 3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide is O=C(Nc1cnn(C2CCNCC2)c1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is MFKNDQIAZGYOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O/c15-12-2-1-5-17-13(12)14(21)19-10-8-18-20(9-10)11-3-6-16-7-4-11/h1-2,5,8-9,11,16H,3-4,6-7H2,(H,19,21).
What are the key properties of 3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide?
3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107520067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).