4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid

C20H22N2O4 — CID 120518914

IUPAC4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid
SMILESO=C(O)CCC(NC(=O)c1ccnc(OC2CCC2)c1)c1ccccc1
InChIInChI=1S/C20H22N2O4/c23-19(24)10-9-17(14-5-2-1-3-6-14)22-20(25)15-11-12-21-18(13-15)26-16-7-4-8-16/h1-3,5-6,11-13,16-17H,4,7-10H2,(H,22,25)(H,23,24)
InChIKeyQUTQBFXCDZFTJL-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.35
Rot. Bonds8

About 4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid

4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid (PubChem CID 120518914) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid
PubChem CID120518914
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid
SMILESO=C(O)CCC(NC(=O)c1ccnc(OC2CCC2)c1)c1ccccc1
InChIInChI=1S/C20H22N2O4/c23-19(24)10-9-17(14-5-2-1-3-6-14)22-20(25)15-11-12-21-18(13-15)26-16-7-4-8-16/h1-3,5-6,11-13,16-17H,4,7-10H2,(H,22,25)(H,23,24)
InChIKeyQUTQBFXCDZFTJL-UHFFFAOYSA-N
XLogP3.35
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 120522196
2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid
CID 120525108
2-cyclopentyloxy-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 91815463
4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid
CID 119201351
4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120512957
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-hydroxy-2-phenylacetamide
CID 75393518
N-(3,3-diphenylpropyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815243
N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-cyclobutyloxypyridine-4-carboxamide
CID 126768794
N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide
CID 71906930
N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86981506
(4S)-4-[(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutanoic acid
CID 99644169
2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 91815462

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid?
The IUPAC name of 4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid (CID 120518914) is 4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid is O=C(O)CCC(NC(=O)c1ccnc(OC2CCC2)c1)c1ccccc1.
What is the InChIKey of 4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid?
The InChIKey is QUTQBFXCDZFTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(24)10-9-17(14-5-2-1-3-6-14)22-20(25)15-11-12-21-18(13-15)26-16-7-4-8-16/h1-3,5-6,11-13,16-17H,4,7-10H2,(H,22,25)(H,23,24).
What are the key properties of 4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid?
4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid has a molecular weight of 354.41 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid is sourced from PubChem (CID 120518914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).