4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid

C19H20N2O4 — CID 120512957

IUPAC4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2ccnc(OC3CCC3)c2)cc1
InChIInChI=1S/C19H20N2O4/c22-18(15-9-11-20-17(12-15)25-16-2-1-3-16)21-10-8-13-4-6-14(7-5-13)19(23)24/h4-7,9,11-12,16H,1-3,8,10H2,(H,21,22)(H,23,24)
InChIKeyFZDGLCPAEWZHDS-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.68
Rot. Bonds7

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

4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid (PubChem CID 120512957) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid
PubChem CID120512957
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2ccnc(OC3CCC3)c2)cc1
InChIInChI=1S/C19H20N2O4/c22-18(15-9-11-20-17(12-15)25-16-2-1-3-16)21-10-8-13-4-6-14(7-5-13)19(23)24/h4-7,9,11-12,16H,1-3,8,10H2,(H,21,22)(H,23,24)
InChIKeyFZDGLCPAEWZHDS-UHFFFAOYSA-N
XLogP2.68
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120528988
2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid
CID 120525108
2-methoxy-N-(2-phenylethyl)pyridine-4-carboxamide
CID 84580463
2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 91815462
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734053
N-[2-(4-cyclopentyloxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788360
2-cyclopentyloxy-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 91815463
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55684140
2-(2-cyclobutyloxypyridine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 120535066
2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide
CID 91815497
cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678191
2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 120529047

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid (CID 120512957) is 4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid is O=C(O)c1ccc(CCNC(=O)c2ccnc(OC3CCC3)c2)cc1.
What is the InChIKey of 4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is FZDGLCPAEWZHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(15-9-11-20-17(12-15)25-16-2-1-3-16)21-10-8-13-4-6-14(7-5-13)19(23)24/h4-7,9,11-12,16H,1-3,8,10H2,(H,21,22)(H,23,24).
What are the key properties of 4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid?
4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 120512957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).