2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide

C16H18FN3O — CID 62176798

IUPAC2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-3-18-15-14(5-4-10-19-15)16(21)20(2)11-12-6-8-13(17)9-7-12/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyJBXRZYAIIHIECO-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.92
Rot. Bonds5

About 2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide

2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 62176798) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID62176798
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-3-18-15-14(5-4-10-19-15)16(21)20(2)11-12-6-8-13(17)9-7-12/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyJBXRZYAIIHIECO-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62179083
N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 60670598
N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62176252
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62170886
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62243531
2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62178139
2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 112664065
N-methyl-2-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 62169198
2-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62168546
2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 55687965
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79487895

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide (CID 62176798) is 2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide is CCNc1ncccc1C(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is JBXRZYAIIHIECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-3-18-15-14(5-4-10-19-15)16(21)20(2)11-12-6-8-13(17)9-7-12/h4-10H,3,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 62176798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).