N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide

C12H19N5O2 — CID 115357279

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cnccc1NN
InChIInChI=1S/C12H19N5O2/c1-12(2,3)16-10(18)7-15-11(19)8-6-14-5-4-9(8)17-13/h4-6H,7,13H2,1-3H3,(H,14,17)(H,15,19)(H,16,18)
InChIKeyKUOADXDADXZVGE-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.01
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide (PubChem CID 115357279) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide
PubChem CID115357279
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cnccc1NN
InChIInChI=1S/C12H19N5O2/c1-12(2,3)16-10(18)7-15-11(19)8-6-14-5-4-9(8)17-13/h4-6H,7,13H2,1-3H3,(H,14,17)(H,15,19)(H,16,18)
InChIKeyKUOADXDADXZVGE-UHFFFAOYSA-N
XLogP0.01
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide (CID 115357279) is N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide is CC(C)(C)NC(=O)CNC(=O)c1cnccc1NN.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide?
The InChIKey is KUOADXDADXZVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-12(2,3)16-10(18)7-15-11(19)8-6-14-5-4-9(8)17-13/h4-6H,7,13H2,1-3H3,(H,14,17)(H,15,19)(H,16,18).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 115357279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).