N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide

C15H15BrN6O — CID 70316014

IUPACN'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide
SMILESCC(C)CN(NC(=O)c1cccnc1)c1nc(C#N)ncc1Br
InChIInChI=1S/C15H15BrN6O/c1-10(2)9-22(14-12(16)8-19-13(6-17)20-14)21-15(23)11-4-3-5-18-7-11/h3-5,7-8,10H,9H2,1-2H3,(H,21,23)
InChIKeyWQHSWSWLTNBOGX-UHFFFAOYSA-N
MW375.23 g/mol
LogP2.31
Rot. Bonds5

About N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide

N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide (PubChem CID 70316014) has the molecular formula C15H15BrN6O and a molecular weight of 375.23 g/mol. Its IUPAC name is N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide
PubChem CID70316014
Molecular FormulaC15H15BrN6O
Molecular Weight375.23 g/mol
Exact Mass374.05
IUPAC NameN'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide
SMILESCC(C)CN(NC(=O)c1cccnc1)c1nc(C#N)ncc1Br
InChIInChI=1S/C15H15BrN6O/c1-10(2)9-22(14-12(16)8-19-13(6-17)20-14)21-15(23)11-4-3-5-18-7-11/h3-5,7-8,10H,9H2,1-2H3,(H,21,23)
InChIKeyWQHSWSWLTNBOGX-UHFFFAOYSA-N
XLogP2.31
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-cyano-5-hydroxypyrimidin-4-yl)-4-[(4,5-diphenylimidazol-1-yl)methyl]-N'-(2-methylpropyl)benzohydrazide
CID 143419543
N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)pyridine-3-carbohydrazide
CID 11667995
N'-(5-bromo-2-cyanopyrimidin-4-yl)-4-(bromomethyl)-N'-cyclopentylbenzohydrazide
CID 59142658
1-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]-3-(3-methoxyphenyl)urea
CID 11546978
N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82708795
1-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]-3-(3-fluorophenyl)urea
CID 11539492
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
N'-(2-hydroxyethyl)-N'-methylpyridine-3-carbohydrazide
CID 91621752
N'-benzyl-N'-phenylpyridine-3-carbohydrazide
CID 51156325
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
1-benzyl-3-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]urea;fluoromethane
CID 143197055
N-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide
CID 70416011

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide (CID 70316014) is N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide is CC(C)CN(NC(=O)c1cccnc1)c1nc(C#N)ncc1Br.
What is the InChIKey of N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide?
The InChIKey is WQHSWSWLTNBOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O/c1-10(2)9-22(14-12(16)8-19-13(6-17)20-14)21-15(23)11-4-3-5-18-7-11/h3-5,7-8,10H,9H2,1-2H3,(H,21,23).
What are the key properties of N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide?
N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide has a molecular weight of 375.23 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 70316014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).