5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide

C8H9ClN2O2 — CID 130613659

IUPAC5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCNC(=O)c1c[nH]cc(Cl)c1=O
InChIInChI=1S/C8H9ClN2O2/c1-2-11-8(13)5-3-10-4-6(9)7(5)12/h3-4H,2H2,1H3,(H,10,12)(H,11,13)
InChIKeyDIDGPNVUFYQWKV-UHFFFAOYSA-N
MW200.62 g/mol
LogP0.78
Rot. Bonds2

About 5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide

5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 130613659) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID130613659
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCNC(=O)c1c[nH]cc(Cl)c1=O
InChIInChI=1S/C8H9ClN2O2/c1-2-11-8(13)5-3-10-4-6(9)7(5)12/h3-4H,2H2,1H3,(H,10,12)(H,11,13)
InChIKeyDIDGPNVUFYQWKV-UHFFFAOYSA-N
XLogP0.78
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-N-ethyl-3,4-dihydroxybenzamide
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2-chloro-N-ethyl-4,5-dinitrobenzamide
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2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 4866653
5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide
CID 112756977
6-chloro-N-ethyl-2-methylpyridine-3-carboxamide
CID 130963544
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide (CID 130613659) is 5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide is CCNC(=O)c1c[nH]cc(Cl)c1=O.
What is the InChIKey of 5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DIDGPNVUFYQWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-2-11-8(13)5-3-10-4-6(9)7(5)12/h3-4H,2H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 200.62 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 130613659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).