2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid

C20H21N3O4 — CID 167806851

IUPAC2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid
SMILESO=C(O)c1cc(N2CCOCC2)ccc1NC(=O)C1Cc2cccnc2C1
InChIInChI=1S/C20H21N3O4/c24-19(14-10-13-2-1-5-21-18(13)11-14)22-17-4-3-15(12-16(17)20(25)26)23-6-8-27-9-7-23/h1-5,12,14H,6-11H2,(H,22,24)(H,25,26)
InChIKeyRKXZYOOCUWAKIJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.97
Rot. Bonds4

About 2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid

2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid (PubChem CID 167806851) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid
PubChem CID167806851
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid
SMILESO=C(O)c1cc(N2CCOCC2)ccc1NC(=O)C1Cc2cccnc2C1
InChIInChI=1S/C20H21N3O4/c24-19(14-10-13-2-1-5-21-18(13)11-14)22-17-4-3-15(12-16(17)20(25)26)23-6-8-27-9-7-23/h1-5,12,14H,6-11H2,(H,22,24)(H,25,26)
InChIKeyRKXZYOOCUWAKIJ-UHFFFAOYSA-N
XLogP1.97
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid with MolForge

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Related Compounds

2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid
CID 50782508
N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 119845829
2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid
CID 45302820
methyl 5-morpholin-4-yl-2-(pyrrolidine-3-carbonylamino)benzoate;dihydrochloride
CID 119840974
2-(cyclopropanecarbonylamino)-5-(4-ethylpiperazin-1-yl)benzoic acid
CID 50782275
5-(4-benzhydrylpiperazin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid
CID 50782148
N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 112761839
N-(2-acetyl-4-morpholin-4-ylphenyl)-4-phenylbenzamide
CID 71711464
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
(3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 25413455
2-(2,2-dimethylpropanoylamino)-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782170

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid (CID 167806851) is 2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid is O=C(O)c1cc(N2CCOCC2)ccc1NC(=O)C1Cc2cccnc2C1.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid?
The InChIKey is RKXZYOOCUWAKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-19(14-10-13-2-1-5-21-18(13)11-14)22-17-4-3-15(12-16(17)20(25)26)23-6-8-27-9-7-23/h1-5,12,14H,6-11H2,(H,22,24)(H,25,26).
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid?
2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid has a molecular weight of 367.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 167806851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).