2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide

C14H21FN4O — CID 105385564

IUPAC2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCCN1CCC(N(C)C(=O)c2ccnc(N)c2F)CC1
InChIInChI=1S/C14H21FN4O/c1-3-19-8-5-10(6-9-19)18(2)14(20)11-4-7-17-13(16)12(11)15/h4,7,10H,3,5-6,8-9H2,1-2H3,(H2,16,17)
InChIKeyPLHAIUSBKCICEC-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.36
Rot. Bonds3

About 2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide

2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 105385564) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide
PubChem CID105385564
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCCN1CCC(N(C)C(=O)c2ccnc(N)c2F)CC1
InChIInChI=1S/C14H21FN4O/c1-3-19-8-5-10(6-9-19)18(2)14(20)11-4-7-17-13(16)12(11)15/h4,7,10H,3,5-6,8-9H2,1-2H3,(H2,16,17)
InChIKeyPLHAIUSBKCICEC-UHFFFAOYSA-N
XLogP1.36
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-cyclopropyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 105384758
N-cyclopropyl-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380342
2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 105380476
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzamide
CID 55002980
3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide
CID 43574421
N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide
CID 107026589
N-(1-ethylpiperidin-4-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55002979
N-(1-ethylpiperidin-4-yl)-N-methyl-2-(methylamino)benzamide
CID 61377274
2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 54877660
2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
CID 106993273
N-cyclopentyl-3-fluoro-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105388215
2-amino-3-fluoro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 105385002

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide (CID 105385564) is 2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide is CCN1CCC(N(C)C(=O)c2ccnc(N)c2F)CC1.
What is the InChIKey of 2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is PLHAIUSBKCICEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-3-19-8-5-10(6-9-19)18(2)14(20)11-4-7-17-13(16)12(11)15/h4,7,10H,3,5-6,8-9H2,1-2H3,(H2,16,17).
What are the key properties of 2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide?
2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105385564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).