6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide

C15H11Cl2N5O2 — CID 71506432

IUPAC6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1nnc(CNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)ncn2)o1
InChIInChI=1S/C15H11Cl2N5O2/c1-8-21-22-14(24-8)6-18-15(23)13-5-12(19-7-20-13)9-2-3-10(16)11(17)4-9/h2-5,7H,6H2,1H3,(H,18,23)
InChIKeyVTQVNBVCWXERSE-UHFFFAOYSA-N
MW364.19 g/mol
LogP3.07
Rot. Bonds4

About 6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide

6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 71506432) has the molecular formula C15H11Cl2N5O2 and a molecular weight of 364.19 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide
PubChem CID71506432
Molecular FormulaC15H11Cl2N5O2
Molecular Weight364.19 g/mol
Exact Mass363.03
IUPAC Name6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1nnc(CNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)ncn2)o1
InChIInChI=1S/C15H11Cl2N5O2/c1-8-21-22-14(24-8)6-18-15(23)13-5-12(19-7-20-13)9-2-3-10(16)11(17)4-9/h2-5,7H,6H2,1H3,(H,18,23)
InChIKeyVTQVNBVCWXERSE-UHFFFAOYSA-N
XLogP3.07
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide (CID 71506432) is 6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide is Cc1nnc(CNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)ncn2)o1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is VTQVNBVCWXERSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O2/c1-8-21-22-14(24-8)6-18-15(23)13-5-12(19-7-20-13)9-2-3-10(16)11(17)4-9/h2-5,7H,6H2,1H3,(H,18,23).
What are the key properties of 6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide?
6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 364.19 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 71506432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).