5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid

C19H18N2O4 — CID 146136989

IUPAC5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(=O)N2CCOC3(CCc4ccccc43)C2)c1
InChIInChI=1S/C19H18N2O4/c22-17(14-9-15(18(23)24)11-20-10-14)21-7-8-25-19(12-21)6-5-13-3-1-2-4-16(13)19/h1-4,9-11H,5-8,12H2,(H,23,24)
InChIKeyQMKNUUPAWXOUHO-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.09
Rot. Bonds2

About 5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid

5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid (PubChem CID 146136989) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid
PubChem CID146136989
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(=O)N2CCOC3(CCc4ccccc43)C2)c1
InChIInChI=1S/C19H18N2O4/c22-17(14-9-15(18(23)24)11-20-10-14)21-7-8-25-19(12-21)6-5-13-3-1-2-4-16(13)19/h1-4,9-11H,5-8,12H2,(H,23,24)
InChIKeyQMKNUUPAWXOUHO-UHFFFAOYSA-N
XLogP2.09
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-2-carboxylic acid
CID 167983926
(2-hydroxycyclopentyl)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone
CID 110015048
[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone
CID 127651554
[4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone
CID 127651596
3-(3-methylimidazol-4-yl)-1-[(3S)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]propan-1-one
CID 124621260
N-(1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide
CID 126767959
(2R)-2-phenyl-2-[(3R)-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-yl]acetamide
CID 100903609
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
4'-(2-pyridin-4-ylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413278
4'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413339
spiro[1,2-dihydroindene-3,2'-oxetane]
CID 84618292
N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide
CID 166211990

Frequently Asked Questions

What is the IUPAC name of 5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid (CID 146136989) is 5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid is O=C(O)c1cncc(C(=O)N2CCOC3(CCc4ccccc43)C2)c1.
What is the InChIKey of 5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is QMKNUUPAWXOUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-17(14-9-15(18(23)24)11-20-10-14)21-7-8-25-19(12-21)6-5-13-3-1-2-4-16(13)19/h1-4,9-11H,5-8,12H2,(H,23,24).
What are the key properties of 5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid?
5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 146136989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).