3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide

C19H23ClN4O2 — CID 166619197

IUPAC3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2(Cc3ccc(Cl)cc3)CNC2)c(=O)n1
InChIInChI=1S/C19H23ClN4O2/c1-13-9-14(2)24(18(26)23-13)8-7-22-17(25)19(11-21-12-19)10-15-3-5-16(20)6-4-15/h3-6,9,21H,7-8,10-12H2,1-2H3,(H,22,25)
InChIKeyUDMLFGJHLKWQBY-UHFFFAOYSA-N
MW374.87 g/mol
LogP1.46
Rot. Bonds6

About 3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide

3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide (PubChem CID 166619197) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide
PubChem CID166619197
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2(Cc3ccc(Cl)cc3)CNC2)c(=O)n1
InChIInChI=1S/C19H23ClN4O2/c1-13-9-14(2)24(18(26)23-13)8-7-22-17(25)19(11-21-12-19)10-15-3-5-16(20)6-4-15/h3-6,9,21H,7-8,10-12H2,1-2H3,(H,22,25)
InChIKeyUDMLFGJHLKWQBY-UHFFFAOYSA-N
XLogP1.46
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide (CID 166619197) is 3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide is Cc1cc(C)n(CCNC(=O)C2(Cc3ccc(Cl)cc3)CNC2)c(=O)n1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide?
The InChIKey is UDMLFGJHLKWQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-13-9-14(2)24(18(26)23-13)8-7-22-17(25)19(11-21-12-19)10-15-3-5-16(20)6-4-15/h3-6,9,21H,7-8,10-12H2,1-2H3,(H,22,25).
What are the key properties of 3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide?
3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 166619197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).