3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid

C12H15N3O4 — CID 104743585

IUPAC3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(NCC1CCOC1)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H15N3O4/c16-11(17)10-9(2-1-4-13-10)15-12(18)14-6-8-3-5-19-7-8/h1-2,4,8H,3,5-7H2,(H,16,17)(H2,14,15,18)
InChIKeyOZKYUXUANDPEKE-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.94
Rot. Bonds4

About 3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid

3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid (PubChem CID 104743585) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid
PubChem CID104743585
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(NCC1CCOC1)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H15N3O4/c16-11(17)10-9(2-1-4-13-10)15-12(18)14-6-8-3-5-19-7-8/h1-2,4,8H,3,5-7H2,(H,16,17)(H2,14,15,18)
InChIKeyOZKYUXUANDPEKE-UHFFFAOYSA-N
XLogP0.94
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94178810
3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 107414579
3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169269388
3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447917
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117
3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 104743679
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106020866
3-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 55118965
1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94198923
1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 125173472
3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743315
3-[(5-bromothiophen-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 104743674

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid (CID 104743585) is 3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid is O=C(NCC1CCOC1)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid?
The InChIKey is OZKYUXUANDPEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-11(17)10-9(2-1-4-13-10)15-12(18)14-6-8-3-5-19-7-8/h1-2,4,8H,3,5-7H2,(H,16,17)(H2,14,15,18).
What are the key properties of 3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid?
3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104743585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).