N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide

C13H20N4O2 — CID 77044978

IUPACN-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CC(N)=NO)C(C)C)c(C)n1
InChIInChI=1S/C13H20N4O2/c1-8(2)17(7-12(14)16-19)13(18)11-6-5-9(3)15-10(11)4/h5-6,8,19H,7H2,1-4H3,(H2,14,16)
InChIKeyPNYLGZZILNFQLH-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.30
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 77044978) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID77044978
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CC(N)=NO)C(C)C)c(C)n1
InChIInChI=1S/C13H20N4O2/c1-8(2)17(7-12(14)16-19)13(18)11-6-5-9(3)15-10(11)4/h5-6,8,19H,7H2,1-4H3,(H2,14,16)
InChIKeyPNYLGZZILNFQLH-UHFFFAOYSA-N
XLogP1.30
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.30
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'}

Analyze N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104672038
N-(2-amino-2-hydroxyiminoethyl)-3-chloro-N-propan-2-ylpyridine-4-carboxamide
CID 77135187
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide
CID 105064326
N-(2-amino-2-hydroxyiminoethyl)-4-fluoro-N-propan-2-ylbenzamide
CID 77044558
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide
CID 104672040
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
CID 76993951
N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylquinoline-8-carboxamide
CID 75373226
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide
CID 107356587
N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide
CID 77056038
N,N-diethyl-2,6-dimethylpyridine-3-carboxamide
CID 60924937
2,6-dimethylpyridine-3-carboxamide;hydrochloride
CID 67300853
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-bromo-3-chloro-N-propan-2-ylbenzamide
CID 81307916

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide (CID 77044978) is N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide is Cc1ccc(C(=O)N(CC(N)=NO)C(C)C)c(C)n1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is PNYLGZZILNFQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(2)17(7-12(14)16-19)13(18)11-6-5-9(3)15-10(11)4/h5-6,8,19H,7H2,1-4H3,(H2,14,16).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.30, 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)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 77044978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).