4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide

C18H22N4O4 — CID 120597201

IUPAC4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccccc2NC(=O)CC(CN)OC)ccn1
InChIInChI=1S/C18H22N4O4/c1-20-18(24)15-9-12(7-8-21-15)26-16-6-4-3-5-14(16)22-17(23)10-13(11-19)25-2/h3-9,13H,10-11,19H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyJYTGBYOWEUOZQY-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.54
Rot. Bonds8

About 4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide

4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 120597201) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID120597201
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccccc2NC(=O)CC(CN)OC)ccn1
InChIInChI=1S/C18H22N4O4/c1-20-18(24)15-9-12(7-8-21-15)26-16-6-4-3-5-14(16)22-17(23)10-13(11-19)25-2/h3-9,13H,10-11,19H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyJYTGBYOWEUOZQY-UHFFFAOYSA-N
XLogP1.54
TPSA115.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide
CID 119893191
4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
CID 119893186
4-[2-(hydroxymethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 107713393
N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide
CID 11339157
N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide
CID 166412297
4-(2-acetamidophenoxy)pyridine-2-carboxylic acid
CID 43142934
4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide
CID 103154438
1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122086211
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
4-amino-3-methoxy-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 103155628
4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893255
4-amino-3-methoxy-N-(4-methyl-2-phenylmethoxyphenyl)butanamide
CID 120588954

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide (CID 120597201) is 4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccccc2NC(=O)CC(CN)OC)ccn1.
What is the InChIKey of 4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is JYTGBYOWEUOZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-20-18(24)15-9-12(7-8-21-15)26-16-6-4-3-5-14(16)22-17(23)10-13(11-19)25-2/h3-9,13H,10-11,19H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 120597201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).