2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide

C15H14Cl2N4O2 — CID 143666633

IUPAC2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC(c3ccc(Cl)c(Cl)c3)C2)nc1
InChIInChI=1S/C15H14Cl2N4O2/c16-12-2-1-9(5-13(12)17)10-3-4-21(8-10)15-18-6-11(7-19-15)14(22)20-23/h1-2,5-7,10,23H,3-4,8H2,(H,20,22)
InChIKeySXFRIRSQEZLKMH-UHFFFAOYSA-N
MW353.21 g/mol
LogP2.90
Rot. Bonds3

About 2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide

2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 143666633) has the molecular formula C15H14Cl2N4O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
PubChem CID143666633
Molecular FormulaC15H14Cl2N4O2
Molecular Weight353.21 g/mol
Exact Mass352.05
IUPAC Name2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC(c3ccc(Cl)c(Cl)c3)C2)nc1
InChIInChI=1S/C15H14Cl2N4O2/c16-12-2-1-9(5-13(12)17)10-3-4-21(8-10)15-18-6-11(7-19-15)14(22)20-23/h1-2,5-7,10,23H,3-4,8H2,(H,20,22)
InChIKeySXFRIRSQEZLKMH-UHFFFAOYSA-N
XLogP2.90
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide (CID 143666633) is 2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCC(c3ccc(Cl)c(Cl)c3)C2)nc1.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is SXFRIRSQEZLKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2/c16-12-2-1-9(5-13(12)17)10-3-4-21(8-10)15-18-6-11(7-19-15)14(22)20-23/h1-2,5-7,10,23H,3-4,8H2,(H,20,22).
What are the key properties of 2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 353.21 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 143666633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).