3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide

C13H17Cl2N3O2 — CID 60718086

IUPAC3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-4-18(5-2)11(19)8-17(3)13(20)12-9(14)6-7-10(15)16-12/h6-7H,4-5,8H2,1-3H3
InChIKeyBOMJMHASBLMISC-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.33
Rot. Bonds5

About 3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide

3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide (PubChem CID 60718086) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
PubChem CID60718086
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-4-18(5-2)11(19)8-17(3)13(20)12-9(14)6-7-10(15)16-12/h6-7H,4-5,8H2,1-3H3
InChIKeyBOMJMHASBLMISC-UHFFFAOYSA-N
XLogP2.33
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 78970836
3-chloro-6-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-2-carboxylic acid
CID 61452600
3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 78780702
6-amino-3-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 62154422
3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 26772614
3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 60794885
3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484898
3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 62053831
3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 60748160
5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 103803319
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776
3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 43395968

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide (CID 60718086) is 3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide is CCN(CC)C(=O)CN(C)C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is BOMJMHASBLMISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-4-18(5-2)11(19)8-17(3)13(20)12-9(14)6-7-10(15)16-12/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 318.20 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 60718086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).