6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide

C11H14ClN3O2 — CID 61042399

IUPAC6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H14ClN3O2/c1-3-15(7-10(16)13-2)11(17)8-4-5-9(12)14-6-8/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyBJRLWDLUJPPWJF-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.94
Rot. Bonds4

About 6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide

6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 61042399) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID61042399
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H14ClN3O2/c1-3-15(7-10(16)13-2)11(17)8-4-5-9(12)14-6-8/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyBJRLWDLUJPPWJF-UHFFFAOYSA-N
XLogP0.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.94
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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Related Compounds

6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 66463493
6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 26357037
6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243478
6-chloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 55342135
N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide
CID 62923762
6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 60738011
N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide
CID 43430184
6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
CID 82966067
N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
CID 43274567
2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 62032806
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide (CID 61042399) is 6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide is CCN(CC(=O)NC)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is BJRLWDLUJPPWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-3-15(7-10(16)13-2)11(17)8-4-5-9(12)14-6-8/h4-6H,3,7H2,1-2H3,(H,13,16).
What are the key properties of 6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide?
6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 255.71 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 61042399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).