6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide

C15H16ClN3O2 — CID 125478399

IUPAC6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(-c2cnccc2Cl)[nH]c1=O
InChIInChI=1S/C15H16ClN3O2/c1-3-19(4-2)15(21)10-5-6-13(18-14(10)20)11-9-17-8-7-12(11)16/h5-9H,3-4H2,1-2H3,(H,18,20)
InChIKeyXPIWUELPFLWZRI-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.57
Rot. Bonds4

About 6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide

6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 125478399) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID125478399
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(-c2cnccc2Cl)[nH]c1=O
InChIInChI=1S/C15H16ClN3O2/c1-3-19(4-2)15(21)10-5-6-13(18-14(10)20)11-9-17-8-7-12(11)16/h5-9H,3-4H2,1-2H3,(H,18,20)
InChIKeyXPIWUELPFLWZRI-UHFFFAOYSA-N
XLogP2.57
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide (CID 125478399) is 6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide is CCN(CC)C(=O)c1ccc(-c2cnccc2Cl)[nH]c1=O.
What is the InChIKey of 6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XPIWUELPFLWZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-3-19(4-2)15(21)10-5-6-13(18-14(10)20)11-9-17-8-7-12(11)16/h5-9H,3-4H2,1-2H3,(H,18,20).
What are the key properties of 6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide?
6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-pyridinyl)-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125478399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).