2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid

C15H19N3O5 — CID 120521387

IUPAC2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid
SMILESCNC(=O)c1ccc(C(=O)NC2(CC(=O)O)CCOCC2)cn1
InChIInChI=1S/C15H19N3O5/c1-16-14(22)11-3-2-10(9-17-11)13(21)18-15(8-12(19)20)4-6-23-7-5-15/h2-3,9H,4-8H2,1H3,(H,16,22)(H,18,21)(H,19,20)
InChIKeyFZIAQMGVGPEPNS-UHFFFAOYSA-N
MW321.33 g/mol
LogP0.19
Rot. Bonds5

About 2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid

2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid (PubChem CID 120521387) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid
PubChem CID120521387
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid
SMILESCNC(=O)c1ccc(C(=O)NC2(CC(=O)O)CCOCC2)cn1
InChIInChI=1S/C15H19N3O5/c1-16-14(22)11-3-2-10(9-17-11)13(21)18-15(8-12(19)20)4-6-23-7-5-15/h2-3,9H,4-8H2,1H3,(H,16,22)(H,18,21)(H,19,20)
InChIKeyFZIAQMGVGPEPNS-UHFFFAOYSA-N
XLogP0.19
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-ethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215520
2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215709
2-[4-[(4-methylsulfonylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119214917
2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119214727
2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid
CID 119214947
2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214844
N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide
CID 114170027
2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215079
2-[4-(1,3-benzodioxole-5-carbonylamino)oxan-4-yl]acetic acid
CID 119215665
5-[2,2-bis(hydroxymethyl)azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide
CID 167937775
2-[4-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]oxan-4-yl]acetic acid
CID 120521612
2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 120521521

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid (CID 120521387) is 2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid is CNC(=O)c1ccc(C(=O)NC2(CC(=O)O)CCOCC2)cn1.
What is the InChIKey of 2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid?
The InChIKey is FZIAQMGVGPEPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-16-14(22)11-3-2-10(9-17-11)13(21)18-15(8-12(19)20)4-6-23-7-5-15/h2-3,9H,4-8H2,1H3,(H,16,22)(H,18,21)(H,19,20).
What are the key properties of 2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid?
2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid has a molecular weight of 321.33 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 120521387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).