2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid

C24H27N3O3 — CID 169087557

IUPAC2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid
SMILESNc1ncc(-c2ccc3c(c2)C2(C=C3)CCN(C3CCOCC3)CC2)cc1C(=O)O
InChIInChI=1S/C24H27N3O3/c25-22-20(23(28)29)13-18(15-26-22)17-2-1-16-3-6-24(21(16)14-17)7-9-27(10-8-24)19-4-11-30-12-5-19/h1-3,6,13-15,19H,4-5,7-12H2,(H2,25,26)(H,28,29)
InChIKeySRLAWQVXIQFLAW-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.57
Rot. Bonds3

About 2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid

2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid (PubChem CID 169087557) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid
PubChem CID169087557
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid
SMILESNc1ncc(-c2ccc3c(c2)C2(C=C3)CCN(C3CCOCC3)CC2)cc1C(=O)O
InChIInChI=1S/C24H27N3O3/c25-22-20(23(28)29)13-18(15-26-22)17-2-1-16-3-6-24(21(16)14-17)7-9-27(10-8-24)19-4-11-30-12-5-19/h1-3,6,13-15,19H,4-5,7-12H2,(H2,25,26)(H,28,29)
InChIKeySRLAWQVXIQFLAW-UHFFFAOYSA-N
XLogP3.57
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]pyridine-3-carboxylic acid
CID 175443481
2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[4-[(1R,5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 138628902
2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide
CID 169087595
2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 126671897
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid
CID 67388257
5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide
CID 118249210
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride
CID 67388256
2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 126671603
bis[4-[[2-amino-5-[4-[(1R,5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carbonyl]amino]-1-bicyclo[2.2.2]octanyl] (E)-but-2-enedioate
CID 138628909
2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid
CID 82556129
2-amino-N-(oxan-4-yl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide
CID 169087569
1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine]
CID 126430249

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid (CID 169087557) is 2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid is Nc1ncc(-c2ccc3c(c2)C2(C=C3)CCN(C3CCOCC3)CC2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid?
The InChIKey is SRLAWQVXIQFLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c25-22-20(23(28)29)13-18(15-26-22)17-2-1-16-3-6-24(21(16)14-17)7-9-27(10-8-24)19-4-11-30-12-5-19/h1-3,6,13-15,19H,4-5,7-12H2,(H2,25,26)(H,28,29).
What are the key properties of 2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid?
2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid has a molecular weight of 405.50 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 169087557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).