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

C13H18ClN3O3 — CID 60776063

IUPAC4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C13H18ClN3O3/c1-16(2)12(18)9-17(6-7-20-3)13(19)11-8-10(14)4-5-15-11/h4-5,8H,6-7,9H2,1-3H3
InChIKeyTYVIYNIHNJBHPA-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.91
Rot. Bonds6

About 4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide

4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 60776063) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID60776063
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C13H18ClN3O3/c1-16(2)12(18)9-17(6-7-20-3)13(19)11-8-10(14)4-5-15-11/h4-5,8H,6-7,9H2,1-3H3
InChIKeyTYVIYNIHNJBHPA-UHFFFAOYSA-N
XLogP0.91
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 60776063) is 4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCN(CC(=O)N(C)C)C(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is TYVIYNIHNJBHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-16(2)12(18)9-17(6-7-20-3)13(19)11-8-10(14)4-5-15-11/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 60776063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).