2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide

C10H12ClN3O2 — CID 31785131

IUPAC2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-14(2)8(15)6-13-10(16)7-4-3-5-12-9(7)11/h3-5H,6H2,1-2H3,(H,13,16)
InChIKeyXVSOXEBSBBFMIM-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.55
Rot. Bonds3

About 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide

2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 31785131) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID31785131
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-14(2)8(15)6-13-10(16)7-4-3-5-12-9(7)11/h3-5H,6H2,1-2H3,(H,13,16)
InChIKeyXVSOXEBSBBFMIM-UHFFFAOYSA-N
XLogP0.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide (CID 31785131) is 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide is CN(C)C(=O)CNC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is XVSOXEBSBBFMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-14(2)8(15)6-13-10(16)7-4-3-5-12-9(7)11/h3-5H,6H2,1-2H3,(H,13,16).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide?
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 241.68 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 31785131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).