N-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide

C21H27N3O3 — CID 123231712

IUPACN-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide
SMILES[H]/N=C(\C)c1c(C)cccc1OCC(C)(C)NC(=O)c1ccnc(COC)c1
InChIInChI=1S/C21H27N3O3/c1-14-7-6-8-18(19(14)15(2)22)27-13-21(3,4)24-20(25)16-9-10-23-17(11-16)12-26-5/h6-11,22H,12-13H2,1-5H3,(H,24,25)/b22-15+
InChIKeyNEDDIGUQYFYGDG-PXLXIMEGSA-N
MW369.47 g/mol
LogP3.51
Rot. Bonds8

About N-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide

N-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide (PubChem CID 123231712) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide
PubChem CID123231712
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide
SMILES[H]/N=C(\C)c1c(C)cccc1OCC(C)(C)NC(=O)c1ccnc(COC)c1
InChIInChI=1S/C21H27N3O3/c1-14-7-6-8-18(19(14)15(2)22)27-13-21(3,4)24-20(25)16-9-10-23-17(11-16)12-26-5/h6-11,22H,12-13H2,1-5H3,(H,24,25)/b22-15+
InChIKeyNEDDIGUQYFYGDG-PXLXIMEGSA-N
XLogP3.51
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide
CID 123412297
1-[4-[[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]carbamoyl]-2-pyridinyl]imidazole-4-carboxylic acid
CID 123482274
2-[2-[2-[[4-(hydroxymethyl)benzoyl]amino]-2-methylpropoxy]-6-methylbenzenecarboximidoyl]-3-methylbut-2-enoic acid
CID 123946455
N-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide
CID 123769245
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide;carbon dioxide
CID 123992201
N-[1-[(4-amino-2,2-dihydroxy-1H-2λ4,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 90344136
2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115870175
4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588746
4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid
CID 56833144
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,5-dimethoxybenzamide
CID 58460338
N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,5-dimethylimidazol-1-yl)pyridine-4-carboxamide
CID 144688458
4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
CID 54588745

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide (CID 123231712) is N-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide is [H]/N=C(\C)c1c(C)cccc1OCC(C)(C)NC(=O)c1ccnc(COC)c1.
What is the InChIKey of N-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide?
The InChIKey is NEDDIGUQYFYGDG-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-7-6-8-18(19(14)15(2)22)27-13-21(3,4)24-20(25)16-9-10-23-17(11-16)12-26-5/h6-11,22H,12-13H2,1-5H3,(H,24,25)/b22-15+.
What are the key properties of N-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide?
N-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide is sourced from PubChem (CID 123231712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).