N-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide

C12H14N6O3 — CID 107632316

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)c2ccc(NN)cn2)n1
InChIInChI=1S/C12H14N6O3/c1-20-9-5-10(21-2)16-12(15-9)17-11(19)8-4-3-7(18-13)6-14-8/h3-6,18H,13H2,1-2H3,(H,15,16,17,19)
InChIKeyFKRCAQXUYWMFCL-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.43
Rot. Bonds5

About N-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide

N-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide (PubChem CID 107632316) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide
PubChem CID107632316
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)c2ccc(NN)cn2)n1
InChIInChI=1S/C12H14N6O3/c1-20-9-5-10(21-2)16-12(15-9)17-11(19)8-4-3-7(18-13)6-14-8/h3-6,18H,13H2,1-2H3,(H,15,16,17,19)
InChIKeyFKRCAQXUYWMFCL-UHFFFAOYSA-N
XLogP0.43
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-hydrazinyl-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 113436268
5-hydrazinyl-N-(4-methoxy-3-methylphenyl)pyridine-2-carboxamide
CID 104642300
5-hydrazinyl-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 104642218
5-hydrazinyl-N-phenylpyridine-2-carboxamide
CID 104642260
N-(2,6-dichloro-4-fluorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104643020
6-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-2-carboxamide
CID 107603520
N-tert-butyl-5-hydrazinylpyridine-2-carboxamide
CID 104642324
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
5-hydrazinyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 104642519
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
N-(4-bromo-2,6-dichlorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642535
3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide
CID 107625756

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide (CID 107632316) is N-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide is COc1cc(OC)nc(NC(=O)c2ccc(NN)cn2)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide?
The InChIKey is FKRCAQXUYWMFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-20-9-5-10(21-2)16-12(15-9)17-11(19)8-4-3-7(18-13)6-14-8/h3-6,18H,13H2,1-2H3,(H,15,16,17,19).
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide?
N-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)-5-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 107632316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).