N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide

C14H22N4O3 — CID 76993951

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCOCCN(CCC(N)=NO)C(=O)c1ccc(C)nc1C
InChIInChI=1S/C14H22N4O3/c1-10-4-5-12(11(2)16-10)14(19)18(8-9-21-3)7-6-13(15)17-20/h4-5,20H,6-9H2,1-3H3,(H2,15,17)
InChIKeyFKKAYWDAXRCASV-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.92
Rot. Bonds7

About N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 76993951) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID76993951
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCOCCN(CCC(N)=NO)C(=O)c1ccc(C)nc1C
InChIInChI=1S/C14H22N4O3/c1-10-4-5-12(11(2)16-10)14(19)18(8-9-21-3)7-6-13(15)17-20/h4-5,20H,6-9H2,1-3H3,(H2,15,17)
InChIKeyFKKAYWDAXRCASV-UHFFFAOYSA-N
XLogP0.92
TPSA101.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.92
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'}

Analyze N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-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-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802159
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55172677
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-chloro-5-hydroxy-N-(2-methoxyethyl)benzamide
CID 106502796
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 76994049
2,6-dimethyl-N,N-dipropylpyridine-3-carboxamide
CID 87024383
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 80640935
N-(3-amino-3-hydroxyiminopropyl)-3-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 77007089
N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 77044978
N,N-bis(2-methoxyethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 86912287
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide
CID 55219793
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-bromo-4-chloro-N-(2-methoxyethyl)benzamide
CID 107992488
N,N-diethyl-2,6-dimethylpyridine-3-carboxamide
CID 60924937

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide (CID 76993951) is N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide is COCCN(CCC(N)=NO)C(=O)c1ccc(C)nc1C.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is FKKAYWDAXRCASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-4-5-12(11(2)16-10)14(19)18(8-9-21-3)7-6-13(15)17-20/h4-5,20H,6-9H2,1-3H3,(H2,15,17).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 76993951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).