N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide

C12H18N4O3 — CID 105064326

IUPACN-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)N(C/C(N)=N/O)C(C)C
InChIInChI=1S/C12H18N4O3/c1-8(2)16(7-11(13)15-18)12(17)9-4-5-14-6-10(9)19-3/h4-6,8,18H,7H2,1-3H3,(H2,13,15)
InChIKeyIZBGTFBUIKQFRF-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.69
Rot. Bonds5

About N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 105064326) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide
PubChem CID105064326
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)N(C/C(N)=N/O)C(C)C
InChIInChI=1S/C12H18N4O3/c1-8(2)16(7-11(13)15-18)12(17)9-4-5-14-6-10(9)19-3/h4-6,8,18H,7H2,1-3H3,(H2,13,15)
InChIKeyIZBGTFBUIKQFRF-UHFFFAOYSA-N
XLogP0.69
TPSA101.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-amino-2-hydroxyiminoethyl)-3-chloro-N-propan-2-ylpyridine-4-carboxamide
CID 77135187
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide
CID 104672040
N-(2-amino-2-hydroxyiminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79731686
N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 77044978
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104672038
methyl 2-[(3-methoxypyridine-4-carbonyl)-methylamino]acetate
CID 105064217
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide
CID 107356587
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide
CID 105064330
N-(2-amino-2-hydroxyiminoethyl)-4-fluoro-N-propan-2-ylbenzamide
CID 77044558
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid
CID 105063247
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-3-propan-2-yloxybenzamide
CID 77044882

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide (CID 105064326) is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide is COc1cnccc1C(=O)N(C/C(N)=N/O)C(C)C.
What is the InChIKey of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is IZBGTFBUIKQFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8(2)16(7-11(13)15-18)12(17)9-4-5-14-6-10(9)19-3/h4-6,8,18H,7H2,1-3H3,(H2,13,15).
What are the key properties of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide?
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 105064326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).