2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid

C19H19N3O3 — CID 56899883

IUPAC2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid
SMILESCN1C(=O)C2(CCN(c3ncccc3C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-21-15-7-3-2-6-14(15)19(18(21)25)8-11-22(12-9-19)16-13(17(23)24)5-4-10-20-16/h2-7,10H,8-9,11-12H2,1H3,(H,23,24)
InChIKeyAESMVMGJEVGCBF-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.29
Rot. Bonds2

About 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid

2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid (PubChem CID 56899883) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid
PubChem CID56899883
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid
SMILESCN1C(=O)C2(CCN(c3ncccc3C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-21-15-7-3-2-6-14(15)19(18(21)25)8-11-22(12-9-19)16-13(17(23)24)5-4-10-20-16/h2-7,10H,8-9,11-12H2,1H3,(H,23,24)
InChIKeyAESMVMGJEVGCBF-UHFFFAOYSA-N
XLogP2.29
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Metanixin
CID 10466908
Aurora A inhibitor-9
CID 134140427
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CID 13691338
2-(2,4,6-Trimethylanilino)pyridine-3-carboxylic acid
CID 1432582
6-[N-Ethyl(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthyl)amino]nicotinic acid
CID 46933689
5-[6-(Ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid
CID 59208494
6-[Ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid
CID 118343138
3-Pyridinecarboxylic acid, 2-[[4-(1-methylethyl)phenyl]amino]-
CID 1174129
ethyl 2-{[2-(5-methylpyridin-2-yl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate
CID 5308402
6-(Ethyl(8-ethyl-7-oxo-5-(trifluoromethyl)-7,8-dihydro-1,8-naphthyridin-2-yl)amino)nicotinic acid
CID 49865443
6-[[4-[[2-(4-Ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]-2-pyridinyl]amino]pyridine-3-carboxylic acid
CID 134133208
2-[[4-[3-(Trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]amino]benzoic acid
CID 72196038

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid (CID 56899883) is 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid is CN1C(=O)C2(CCN(c3ncccc3C(=O)O)CC2)c2ccccc21.
What is the InChIKey of 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid?
The InChIKey is AESMVMGJEVGCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-21-15-7-3-2-6-14(15)19(18(21)25)8-11-22(12-9-19)16-13(17(23)24)5-4-10-20-16/h2-7,10H,8-9,11-12H2,1H3,(H,23,24).
What are the key properties of 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid?
2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 56899883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).