N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide

C14H20N4O2 — CID 77044653

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(CC(N)=NO)C2CCCC2)n1
InChIInChI=1S/C14H20N4O2/c1-10-5-4-8-12(16-10)14(19)18(9-13(15)17-20)11-6-2-3-7-11/h4-5,8,11,20H,2-3,6-7,9H2,1H3,(H2,15,17)
InChIKeyAGPZMEDRKNONJL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.52
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide (PubChem CID 77044653) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide
PubChem CID77044653
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(CC(N)=NO)C2CCCC2)n1
InChIInChI=1S/C14H20N4O2/c1-10-5-4-8-12(16-10)14(19)18(9-13(15)17-20)11-6-2-3-7-11/h4-5,8,11,20H,2-3,6-7,9H2,1H3,(H2,15,17)
InChIKeyAGPZMEDRKNONJL-UHFFFAOYSA-N
XLogP1.52
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-methylpyridine-4-carboxamide
CID 106753961
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide
CID 81479946
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 107974303
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide
CID 102922552
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 77044866
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide
CID 77044705
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide
CID 77044490
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113090
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxypyridine-3-carboxamide
CID 77037925
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide
CID 77038100
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-N-cyclopentylthiophene-2-carboxamide
CID 77044861
N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 77038217

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide (CID 77044653) is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)N(CC(N)=NO)C2CCCC2)n1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide?
The InChIKey is AGPZMEDRKNONJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-5-4-8-12(16-10)14(19)18(9-13(15)17-20)11-6-2-3-7-11/h4-5,8,11,20H,2-3,6-7,9H2,1H3,(H2,15,17).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 77044653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).