2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid

C19H24N4O4 — CID 67006935

IUPAC2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid
SMILESNC(=O)C1CC12CNC(C(=O)N1CCC(c3ccncc3)C1)C(C(=O)O)C2
InChIInChI=1S/C19H24N4O4/c20-16(24)14-8-19(14)7-13(18(26)27)15(22-10-19)17(25)23-6-3-12(9-23)11-1-4-21-5-2-11/h1-2,4-5,12-15,22H,3,6-10H2,(H2,20,24)(H,26,27)
InChIKeyWOFZUKWOACYPPH-UHFFFAOYSA-N
MW372.43 g/mol
LogP-0.05
Rot. Bonds4

About 2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid

2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid (PubChem CID 67006935) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid
PubChem CID67006935
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid
SMILESNC(=O)C1CC12CNC(C(=O)N1CCC(c3ccncc3)C1)C(C(=O)O)C2
InChIInChI=1S/C19H24N4O4/c20-16(24)14-8-19(14)7-13(18(26)27)15(22-10-19)17(25)23-6-3-12(9-23)11-1-4-21-5-2-11/h1-2,4-5,12-15,22H,3,6-10H2,(H2,20,24)(H,26,27)
InChIKeyWOFZUKWOACYPPH-UHFFFAOYSA-N
XLogP-0.05
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid with MolForge

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Related Compounds

6-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
CID 142757396
6-[3-(4-phenoxyphenyl)pyrrolidine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
CID 142757402
N-hydroxy-6-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 87234655
(5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 141111283
N-[1-(3-pyridin-4-ylpyrrolidin-1-yl)ethylidene]acetamide
CID 142185222
2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 22585642
(2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 110014366
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
4-pyridin-4-ylpiperidine-1-carbothioamide
CID 154522101
[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 91838125
[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24809686
5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688432

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid?
The IUPAC name of 2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid (CID 67006935) is 2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid?
The canonical SMILES for 2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid is NC(=O)C1CC12CNC(C(=O)N1CCC(c3ccncc3)C1)C(C(=O)O)C2.
What is the InChIKey of 2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid?
The InChIKey is WOFZUKWOACYPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c20-16(24)14-8-19(14)7-13(18(26)27)15(22-10-19)17(25)23-6-3-12(9-23)11-1-4-21-5-2-11/h1-2,4-5,12-15,22H,3,6-10H2,(H2,20,24)(H,26,27).
What are the key properties of 2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid?
2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid has a molecular weight of 372.43 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-6-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid is sourced from PubChem (CID 67006935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).