2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid

C15H18N2O3 — CID 129470229

IUPAC2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N[C@H]2CC23CCCCC3)c1
InChIInChI=1S/C15H18N2O3/c18-13(11-8-10(14(19)20)4-7-16-11)17-12-9-15(12)5-2-1-3-6-15/h4,7-8,12H,1-3,5-6,9H2,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyQYWFEKVFYRDDKT-LBPRGKRZSA-N
MW274.32 g/mol
LogP2.23
Rot. Bonds3

About 2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid

2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid (PubChem CID 129470229) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid
PubChem CID129470229
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N[C@H]2CC23CCCCC3)c1
InChIInChI=1S/C15H18N2O3/c18-13(11-8-10(14(19)20)4-7-16-11)17-12-9-15(12)5-2-1-3-6-15/h4,7-8,12H,1-3,5-6,9H2,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyQYWFEKVFYRDDKT-LBPRGKRZSA-N
XLogP2.23
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylcycloheptyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056326
2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055105
2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055726
2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid
CID 122055718
2-(8-tricyclo[5.2.1.02,6]decanylcarbamoyl)pyridine-4-carboxylic acid
CID 122055921
4-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid
CID 119187196
2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid
CID 122056076
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315
2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055688
4-[3-oxo-3-(spiro[2.5]octan-2-ylamino)propyl]benzoic acid
CID 120692331
2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056426
2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109080128

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid (CID 129470229) is 2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)N[C@H]2CC23CCCCC3)c1.
What is the InChIKey of 2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is QYWFEKVFYRDDKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-13(11-8-10(14(19)20)4-7-16-11)17-12-9-15(12)5-2-1-3-6-15/h4,7-8,12H,1-3,5-6,9H2,(H,17,18)(H,19,20)/t12-/m0/s1.
What are the key properties of 2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid?
2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 129470229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).