2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid

C19H22N2O4 — CID 120533319

IUPAC2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-3-19(4-2,18(23)24)13-21-17(22)14-10-11-16(20-12-14)25-15-8-6-5-7-9-15/h5-12H,3-4,13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyIYEKBJFHKRWONL-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.49
Rot. Bonds8

About 2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid

2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid (PubChem CID 120533319) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid
PubChem CID120533319
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-3-19(4-2,18(23)24)13-21-17(22)14-10-11-16(20-12-14)25-15-8-6-5-7-9-15/h5-12H,3-4,13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyIYEKBJFHKRWONL-UHFFFAOYSA-N
XLogP3.49
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
CID 87002133
2-ethyl-2-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 120533315
N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide
CID 78888100
N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide
CID 87002549
N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78901073
N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 78899959
N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119625868
N-[(1-hydroxycyclobutyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 111539349
6-phenoxy-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 87000850

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid (CID 120533319) is 2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid is CCC(CC)(CNC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid?
The InChIKey is IYEKBJFHKRWONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-19(4-2,18(23)24)13-21-17(22)14-10-11-16(20-12-14)25-15-8-6-5-7-9-15/h5-12H,3-4,13H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid has a molecular weight of 342.40 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 120533319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).