2-chloro-N-ethyl-6-methylpyridine-4-carboxamide

C9H11ClN2O — CID 89150895

IUPAC2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
SMILESCCNC(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C9H11ClN2O/c1-3-11-9(13)7-4-6(2)12-8(10)5-7/h4-5H,3H2,1-2H3,(H,11,13)
InChIKeyKVNMPVCBAYACIK-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.79
Rot. Bonds2

About 2-chloro-N-ethyl-6-methylpyridine-4-carboxamide

2-chloro-N-ethyl-6-methylpyridine-4-carboxamide (PubChem CID 89150895) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-chloro-N-ethyl-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
PubChem CID89150895
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
SMILESCCNC(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C9H11ClN2O/c1-3-11-9(13)7-4-6(2)12-8(10)5-7/h4-5H,3H2,1-2H3,(H,11,13)
InChIKeyKVNMPVCBAYACIK-UHFFFAOYSA-N
XLogP1.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide
CID 113497559
2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide
CID 104952601
N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 104955488
2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide
CID 114941685
2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide
CID 104955122
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 113378416
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
N-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide
CID 177154770
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
CID 104952363
2-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-methylpyridine-4-carboxamide
CID 104954990
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-ethyl-6-methylpyridine-4-carboxamide (CID 89150895) is 2-chloro-N-ethyl-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-ethyl-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-ethyl-6-methylpyridine-4-carboxamide is CCNC(=O)c1cc(C)nc(Cl)c1.
What is the InChIKey of 2-chloro-N-ethyl-6-methylpyridine-4-carboxamide?
The InChIKey is KVNMPVCBAYACIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-3-11-9(13)7-4-6(2)12-8(10)5-7/h4-5H,3H2,1-2H3,(H,11,13).
What are the key properties of 2-chloro-N-ethyl-6-methylpyridine-4-carboxamide?
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide has a molecular weight of 198.65 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 89150895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).