4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid

C13H17N3O4 — CID 66241308

IUPAC4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid
SMILESCN(C)C(=O)c1cc(NC2COCC2C(=O)O)ccn1
InChIInChI=1S/C13H17N3O4/c1-16(2)12(17)10-5-8(3-4-14-10)15-11-7-20-6-9(11)13(18)19/h3-5,9,11H,6-7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyZUHXYLWZWLOBKH-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.29
Rot. Bonds4

About 4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid

4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid (PubChem CID 66241308) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid
PubChem CID66241308
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid
SMILESCN(C)C(=O)c1cc(NC2COCC2C(=O)O)ccn1
InChIInChI=1S/C13H17N3O4/c1-16(2)12(17)10-5-8(3-4-14-10)15-11-7-20-6-9(11)13(18)19/h3-5,9,11H,6-7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyZUHXYLWZWLOBKH-UHFFFAOYSA-N
XLogP0.29
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid
CID 66240697
N,N-dimethyl-4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxamide
CID 79110565
4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 61232559
4-(dicyclopropylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 61482684
2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66287399
2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 64816659
N,N-dimethyl-4-[[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxamide
CID 43395819
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
N,N-diethyl-4-[(2-methylcyclohexyl)amino]pyridine-2-carboxamide
CID 43395278
(3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 139020360
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785
4-[(4-methyl-3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid
CID 66241505

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid (CID 66241308) is 4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid is CN(C)C(=O)c1cc(NC2COCC2C(=O)O)ccn1.
What is the InChIKey of 4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid?
The InChIKey is ZUHXYLWZWLOBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-16(2)12(17)10-5-8(3-4-14-10)15-11-7-20-6-9(11)13(18)19/h3-5,9,11H,6-7H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid?
4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66241308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).