2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide

C9H12ClN3O — CID 62171489

IUPAC2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC)cc(Cl)n1
InChIInChI=1S/C9H12ClN3O/c1-3-12-8-5-6(9(14)11-2)4-7(10)13-8/h4-5H,3H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyPHYJKQVZUCQACG-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.53
Rot. Bonds3

About 2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide

2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide (PubChem CID 62171489) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
PubChem CID62171489
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC)cc(Cl)n1
InChIInChI=1S/C9H12ClN3O/c1-3-12-8-5-6(9(14)11-2)4-7(10)13-8/h4-5H,3H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyPHYJKQVZUCQACG-UHFFFAOYSA-N
XLogP1.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide
CID 62171490
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-6-(ethylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175036
2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976
2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 62167550
2-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-4-carboxamide
CID 62175112
2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 113480509
2-chloro-6-(ethylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 62171252
2-chloro-6-(ethylamino)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 62165501
2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide
CID 55047218
2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 113464140
2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide
CID 114109652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide (CID 62171489) is 2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide is CCNc1cc(C(=O)NC)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide?
The InChIKey is PHYJKQVZUCQACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-3-12-8-5-6(9(14)11-2)4-7(10)13-8/h4-5H,3H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide?
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide has a molecular weight of 213.67 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 62171489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).