N-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide

C20H26N4O3 — CID 123412297

IUPACN-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide
SMILES[H]/N=C(\C)c1c(N)cccc1OCC(C)(C)NC(=O)c1ccnc(OCC)c1
InChIInChI=1S/C20H26N4O3/c1-5-26-17-11-14(9-10-23-17)19(25)24-20(3,4)12-27-16-8-6-7-15(22)18(16)13(2)21/h6-11,21H,5,12,22H2,1-4H3,(H,24,25)/b21-13+
InChIKeyNTCKJOBTLSXMNK-FYJGNVAPSA-N
MW370.45 g/mol
LogP3.04
Rot. Bonds8

About N-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide

N-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide (PubChem CID 123412297) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide
PubChem CID123412297
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide
SMILES[H]/N=C(\C)c1c(N)cccc1OCC(C)(C)NC(=O)c1ccnc(OCC)c1
InChIInChI=1S/C20H26N4O3/c1-5-26-17-11-14(9-10-23-17)19(25)24-20(3,4)12-27-16-8-6-7-15(22)18(16)13(2)21/h6-11,21H,5,12,22H2,1-4H3,(H,24,25)/b21-13+
InChIKeyNTCKJOBTLSXMNK-FYJGNVAPSA-N
XLogP3.04
TPSA110.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]carbamoyl]-2-pyridinyl]imidazole-4-carboxylic acid
CID 123482274
N-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide
CID 123231712
N-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide
CID 123769245
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
4-amino-5-[2-[(3-ethoxy-5-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 90070163
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-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(propylamino)pyridine-4-carboxamide
CID 174193433
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(propanoylamino)pyridine-4-carboxamide
CID 90372283
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methylamino)pyridine-4-carboxamide
CID 85469556
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 58460319
N-[1-[(4-amino-2-methylidene-2-oxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(imidazol-1-ylmethyl)pyridine-4-carboxamide
CID 123171282

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide?
The IUPAC name of N-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide (CID 123412297) is N-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide is [H]/N=C(\C)c1c(N)cccc1OCC(C)(C)NC(=O)c1ccnc(OCC)c1.
What is the InChIKey of N-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide?
The InChIKey is NTCKJOBTLSXMNK-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-5-26-17-11-14(9-10-23-17)19(25)24-20(3,4)12-27-16-8-6-7-15(22)18(16)13(2)21/h6-11,21H,5,12,22H2,1-4H3,(H,24,25)/b21-13+.
What are the key properties of N-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide?
N-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.04, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide is sourced from PubChem (CID 123412297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).