N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide

C13H20FN3O — CID 114034849

IUPACN-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cc(F)cnc1NCC
InChIInChI=1S/C13H20FN3O/c1-4-6-7-17(3)13(18)11-8-10(14)9-16-12(11)15-5-2/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyPBOAZWFIAYDZJU-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.52
Rot. Bonds6

About N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide

N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide (PubChem CID 114034849) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide
PubChem CID114034849
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC NameN-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cc(F)cnc1NCC
InChIInChI=1S/C13H20FN3O/c1-4-6-7-17(3)13(18)11-8-10(14)9-16-12(11)15-5-2/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyPBOAZWFIAYDZJU-UHFFFAOYSA-N
XLogP2.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 114035058
5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107201170
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide
CID 62186071
5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide
CID 62168980
2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 114035087
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
N-butyl-2-chloro-N-ethyl-5-fluoropyridine-3-carboxamide
CID 103891528
N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 110855689
3-amino-2,5-difluoro-N-methyl-N-pentylbenzamide
CID 107120492
4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide
CID 81234919
2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218206

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide?
The IUPAC name of N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide (CID 114034849) is N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide is CCCCN(C)C(=O)c1cc(F)cnc1NCC.
What is the InChIKey of N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide?
The InChIKey is PBOAZWFIAYDZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-4-6-7-17(3)13(18)11-8-10(14)9-16-12(11)15-5-2/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide?
N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide has a molecular weight of 253.32 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 114034849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).