5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide

C13H13BrN4O2 — CID 138023894

IUPAC5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESCOc1cn[nH]c1NC(=O)c1cc(Br)cnc1C1CC1
InChIInChI=1S/C13H13BrN4O2/c1-20-10-6-16-18-12(10)17-13(19)9-4-8(14)5-15-11(9)7-2-3-7/h4-7H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyWSVYLLRCTWTWTH-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.71
Rot. Bonds4

About 5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide

5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide (PubChem CID 138023894) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide
PubChem CID138023894
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESCOc1cn[nH]c1NC(=O)c1cc(Br)cnc1C1CC1
InChIInChI=1S/C13H13BrN4O2/c1-20-10-6-16-18-12(10)17-13(19)9-4-8(14)5-15-11(9)7-2-3-7/h4-7H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyWSVYLLRCTWTWTH-UHFFFAOYSA-N
XLogP2.71
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 166393970
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CID 81487581
5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 62001368
N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 166350578
5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide
CID 107300867
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62237098
5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
CID 114839248
5-bromo-2-methoxy-N-methylpyridine-3-carboxamide
CID 25114918
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-4-methoxy-1H-pyrazole-5-carboxamide
CID 167979969
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616600
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide (CID 138023894) is 5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide is COc1cn[nH]c1NC(=O)c1cc(Br)cnc1C1CC1.
What is the InChIKey of 5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide?
The InChIKey is WSVYLLRCTWTWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-20-10-6-16-18-12(10)17-13(19)9-4-8(14)5-15-11(9)7-2-3-7/h4-7H,2-3H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide?
5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 337.18 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyl-N-(4-methoxy-1H-pyrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 138023894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).