6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid

C11H10N4O5 — CID 167743576

IUPAC6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid
SMILESC[C@H](NC(=O)c1ccc(C(=O)O)cn1)c1n[nH]c(=O)o1
InChIInChI=1S/C11H10N4O5/c1-5(9-14-15-11(19)20-9)13-8(16)7-3-2-6(4-12-7)10(17)18/h2-5H,1H3,(H,13,16)(H,15,19)(H,17,18)/t5-/m0/s1
InChIKeyLDGQQAORXINOBX-YFKPBYRVSA-N
MW278.22 g/mol
LogP-0.05
Rot. Bonds4

About 6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid

6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 167743576) has the molecular formula C11H10N4O5 and a molecular weight of 278.22 g/mol. Its IUPAC name is 6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID167743576
Molecular FormulaC11H10N4O5
Molecular Weight278.22 g/mol
Exact Mass278.07
IUPAC Name6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid
SMILESC[C@H](NC(=O)c1ccc(C(=O)O)cn1)c1n[nH]c(=O)o1
InChIInChI=1S/C11H10N4O5/c1-5(9-14-15-11(19)20-9)13-8(16)7-3-2-6(4-12-7)10(17)18/h2-5H,1H3,(H,13,16)(H,15,19)(H,17,18)/t5-/m0/s1
InChIKeyLDGQQAORXINOBX-YFKPBYRVSA-N
XLogP-0.05
TPSA138.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 43429242
6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 62845141
6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427288
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389573
6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 61073901
6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43429243
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 114168195
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
5-carbamothioyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106281493
pyridine-2,5-dicarboxylic acid
CID 158970171

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid (CID 167743576) is 6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid is C[C@H](NC(=O)c1ccc(C(=O)O)cn1)c1n[nH]c(=O)o1.
What is the InChIKey of 6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is LDGQQAORXINOBX-YFKPBYRVSA-N. The full InChI is InChI=1S/C11H10N4O5/c1-5(9-14-15-11(19)20-9)13-8(16)7-3-2-6(4-12-7)10(17)18/h2-5H,1H3,(H,13,16)(H,15,19)(H,17,18)/t5-/m0/s1.
What are the key properties of 6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid?
6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 278.22 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 167743576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).