N-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C16H13Cl2N5O3 — CID 25155961

IUPACN-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCOc1cc(Cl)cc(-c2ccc(NC(=O)c3nonc3C)nc2N)c1Cl
InChIInChI=1S/C16H13Cl2N5O3/c1-7-14(23-26-22-7)16(24)21-12-4-3-9(15(19)20-12)10-5-8(17)6-11(25-2)13(10)18/h3-6H,1-2H3,(H3,19,20,21,24)
InChIKeyLXKIDILKEZNCEF-UHFFFAOYSA-N
MW394.22 g/mol
LogP3.59
Rot. Bonds4

About N-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 25155961) has the molecular formula C16H13Cl2N5O3 and a molecular weight of 394.22 g/mol. Its IUPAC name is N-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID25155961
Molecular FormulaC16H13Cl2N5O3
Molecular Weight394.22 g/mol
Exact Mass393.04
IUPAC NameN-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCOc1cc(Cl)cc(-c2ccc(NC(=O)c3nonc3C)nc2N)c1Cl
InChIInChI=1S/C16H13Cl2N5O3/c1-7-14(23-26-22-7)16(24)21-12-4-3-9(15(19)20-12)10-5-8(17)6-11(25-2)13(10)18/h3-6H,1-2H3,(H3,19,20,21,24)
InChIKeyLXKIDILKEZNCEF-UHFFFAOYSA-N
XLogP3.59
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.22
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 25155961) is N-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is COc1cc(Cl)cc(-c2ccc(NC(=O)c3nonc3C)nc2N)c1Cl.
What is the InChIKey of N-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is LXKIDILKEZNCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O3/c1-7-14(23-26-22-7)16(24)21-12-4-3-9(15(19)20-12)10-5-8(17)6-11(25-2)13(10)18/h3-6H,1-2H3,(H3,19,20,21,24).
What are the key properties of N-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 394.22 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(2,5-dichloro-3-methoxyphenyl)-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 25155961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).