2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide

C14H18N6O — CID 107590035

IUPAC2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cncnc2)cc(NN)n1
InChIInChI=1S/C14H18N6O/c1-14(2,3)11-4-9(5-12(19-11)20-15)13(21)18-10-6-16-8-17-7-10/h4-8H,15H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyIYYDPJICHOZLIL-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.71
Rot. Bonds3

About 2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide

2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide (PubChem CID 107590035) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide
PubChem CID107590035
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cncnc2)cc(NN)n1
InChIInChI=1S/C14H18N6O/c1-14(2,3)11-4-9(5-12(19-11)20-15)13(21)18-10-6-16-8-17-7-10/h4-8H,15H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyIYYDPJICHOZLIL-UHFFFAOYSA-N
XLogP1.71
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-tert-butyl-N-pyrimidin-5-ylbenzamide
CID 76848988
2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide
CID 107589984
2-ethyl-6-hydrazinyl-N-pyridin-3-ylpyridine-4-carboxamide
CID 113381139
5-hydrazinyl-N-pyrimidin-5-ylpyrazine-2-carboxamide
CID 107590045
6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide
CID 107590030
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
N-(4-chlorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 113379184
N-pyrimidin-5-ylbenzamide
CID 68971843
2-chloro-6-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 62242493
4-hydroxy-N-pyrimidin-5-ylbenzamide
CID 104862675
2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 106331355
4-hydrazinyl-6-methyl-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 107590009

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide (CID 107590035) is 2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide is CC(C)(C)c1cc(C(=O)Nc2cncnc2)cc(NN)n1.
What is the InChIKey of 2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide?
The InChIKey is IYYDPJICHOZLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-14(2,3)11-4-9(5-12(19-11)20-15)13(21)18-10-6-16-8-17-7-10/h4-8H,15H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide?
2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide is sourced from PubChem (CID 107590035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).