4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide

C16H16N6O3 — CID 175785213

IUPAC4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cncnc1Nc1cccc(-c2nnc(C)o2)c1OC
InChIInChI=1S/C16H16N6O3/c1-9-21-22-16(25-9)10-5-4-6-12(13(10)24-3)20-14-11(15(23)17-2)7-18-8-19-14/h4-8H,1-3H3,(H,17,23)(H,18,19,20)
InChIKeyWQJHXKPHBVCEIB-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.95
Rot. Bonds5

About 4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide

4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide (PubChem CID 175785213) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide
PubChem CID175785213
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cncnc1Nc1cccc(-c2nnc(C)o2)c1OC
InChIInChI=1S/C16H16N6O3/c1-9-21-22-16(25-9)10-5-4-6-12(13(10)24-3)20-14-11(15(23)17-2)7-18-8-19-14/h4-8H,1-3H3,(H,17,23)(H,18,19,20)
InChIKeyWQJHXKPHBVCEIB-UHFFFAOYSA-N
XLogP1.95
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide (CID 175785213) is 4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide is CNC(=O)c1cncnc1Nc1cccc(-c2nnc(C)o2)c1OC.
What is the InChIKey of 4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide?
The InChIKey is WQJHXKPHBVCEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-9-21-22-16(25-9)10-5-4-6-12(13(10)24-3)20-14-11(15(23)17-2)7-18-8-19-14/h4-8H,1-3H3,(H,17,23)(H,18,19,20).
What are the key properties of 4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide?
4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 175785213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).