4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide

C9H8ClN5O2 — CID 114050962

IUPAC4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1cnc(Cl)c(NC(=O)c2nonc2N)c1
InChIInChI=1S/C9H8ClN5O2/c1-4-2-5(7(10)12-3-4)13-9(16)6-8(11)15-17-14-6/h2-3H,1H3,(H2,11,15)(H,13,16)
InChIKeyWFQWWKFLUKHPFQ-UHFFFAOYSA-N
MW253.65 g/mol
LogP1.26
Rot. Bonds2

About 4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 114050962) has the molecular formula C9H8ClN5O2 and a molecular weight of 253.65 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID114050962
Molecular FormulaC9H8ClN5O2
Molecular Weight253.65 g/mol
Exact Mass253.04
IUPAC Name4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1cnc(Cl)c(NC(=O)c2nonc2N)c1
InChIInChI=1S/C9H8ClN5O2/c1-4-2-5(7(10)12-3-4)13-9(16)6-8(11)15-17-14-6/h2-3H,1H3,(H2,11,15)(H,13,16)
InChIKeyWFQWWKFLUKHPFQ-UHFFFAOYSA-N
XLogP1.26
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687766
4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103950
N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide
CID 102979790
4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 114050634
N-(2-chloro-5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 102979687
4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687389
4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688661
2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 102979594
4-amino-N-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 79049325
N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979543
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687413
4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 107808049

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide (CID 114050962) is 4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide is Cc1cnc(Cl)c(NC(=O)c2nonc2N)c1.
What is the InChIKey of 4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is WFQWWKFLUKHPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O2/c1-4-2-5(7(10)12-3-4)13-9(16)6-8(11)15-17-14-6/h2-3H,1H3,(H2,11,15)(H,13,16).
What are the key properties of 4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 253.65 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 114050962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).