5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid

C13H17N3O4 — CID 63158181

IUPAC5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCN(CC1CCCO1)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H17N3O4/c1-16(8-11-3-2-4-20-11)13(19)15-10-5-9(12(17)18)6-14-7-10/h5-7,11H,2-4,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyLKDBNCILKMCOIA-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.42
Rot. Bonds4

About 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid

5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid (PubChem CID 63158181) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
PubChem CID63158181
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCN(CC1CCCO1)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H17N3O4/c1-16(8-11-3-2-4-20-11)13(19)15-10-5-9(12(17)18)6-14-7-10/h5-7,11H,2-4,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyLKDBNCILKMCOIA-UHFFFAOYSA-N
XLogP1.42
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 55166012
3-(3-acetylphenyl)-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61174521
N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide
CID 94818819
5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid
CID 61435976
1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 95597644
3-(4-bromo-2,6-dimethylphenyl)-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 51108212
5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158131
5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157586
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 107201511
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61433968
2-methyl-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61435881

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid (CID 63158181) is 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid is CN(CC1CCCO1)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is LKDBNCILKMCOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-16(8-11-3-2-4-20-11)13(19)15-10-5-9(12(17)18)6-14-7-10/h5-7,11H,2-4,8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid?
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63158181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).