N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide

C12H18N4O3 — CID 105064330

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCC(C)(C)/C(N)=N/O
InChIInChI=1S/C12H18N4O3/c1-12(2,11(13)16-18)7-15-10(17)8-4-5-14-6-9(8)19-3/h4-6,18H,7H2,1-3H3,(H2,13,16)(H,15,17)
InChIKeyBUFOSQZUJCTNCR-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.59
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide

N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide (PubChem CID 105064330) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide
PubChem CID105064330
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCC(C)(C)/C(N)=N/O
InChIInChI=1S/C12H18N4O3/c1-12(2,11(13)16-18)7-15-10(17)8-4-5-14-6-9(8)19-3/h4-6,18H,7H2,1-3H3,(H2,13,16)(H,15,17)
InChIKeyBUFOSQZUJCTNCR-UHFFFAOYSA-N
XLogP0.59
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.59
H-Bond Donors ≤ 53
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-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide
CID 105063908
3-methoxy-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 105064057
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide
CID 106843109
N-[(2-hydroxyphenyl)methyl]-3-methoxypyridine-4-carboxamide
CID 105063699
N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide
CID 105063994
N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide
CID 106164489
N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide
CID 105064561
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide
CID 103121644
N-(2-bromo-3-methylbutyl)-3-methoxypyridine-4-carboxamide
CID 105064608
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide
CID 105064326
N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide
CID 106243160

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide (CID 105064330) is N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)NCC(C)(C)/C(N)=N/O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide?
The InChIKey is BUFOSQZUJCTNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(2,11(13)16-18)7-15-10(17)8-4-5-14-6-9(8)19-3/h4-6,18H,7H2,1-3H3,(H2,13,16)(H,15,17).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide?
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105064330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).