6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid

C18H19N3O4 — CID 122047903

IUPAC6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCc2cccc(NC(=O)C3CCCO3)c2)n1
InChIInChI=1S/C18H19N3O4/c22-17(15-7-3-9-25-15)20-13-5-1-4-12(10-13)11-19-16-8-2-6-14(21-16)18(23)24/h1-2,4-6,8,10,15H,3,7,9,11H2,(H,19,21)(H,20,22)(H,23,24)
InChIKeyXKMBEAAZPKPPPQ-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.51
Rot. Bonds6

About 6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid

6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid (PubChem CID 122047903) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid
PubChem CID122047903
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCc2cccc(NC(=O)C3CCCO3)c2)n1
InChIInChI=1S/C18H19N3O4/c22-17(15-7-3-9-25-15)20-13-5-1-4-12(10-13)11-19-16-8-2-6-14(21-16)18(23)24/h1-2,4-6,8,10,15H,3,7,9,11H2,(H,19,21)(H,20,22)(H,23,24)
InChIKeyXKMBEAAZPKPPPQ-UHFFFAOYSA-N
XLogP2.51
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 133404937
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 100663858
N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide
CID 97315172
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 47982105
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
(2S)-N-[3-[[(3-nitro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 94825831
N-[3-[[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 133274151

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid (CID 122047903) is 6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NCc2cccc(NC(=O)C3CCCO3)c2)n1.
What is the InChIKey of 6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid?
The InChIKey is XKMBEAAZPKPPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-17(15-7-3-9-25-15)20-13-5-1-4-12(10-13)11-19-16-8-2-6-14(21-16)18(23)24/h1-2,4-6,8,10,15H,3,7,9,11H2,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid?
6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122047903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).