3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide

C20H17FN4O2 — CID 119032821

IUPAC3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1F)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H17FN4O2/c1-13(24-20(27)17-8-11-23-12-18(17)21)14-2-4-16(5-3-14)25-19(26)15-6-9-22-10-7-15/h2-13H,1H3,(H,24,27)(H,25,26)
InChIKeyLDAGVWAQDFYUIU-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.36
Rot. Bonds5

About 3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide

3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide (PubChem CID 119032821) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide
PubChem CID119032821
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1F)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H17FN4O2/c1-13(24-20(27)17-8-11-23-12-18(17)21)14-2-4-16(5-3-14)25-19(26)15-6-9-22-10-7-15/h2-13H,1H3,(H,24,27)(H,25,26)
InChIKeyLDAGVWAQDFYUIU-UHFFFAOYSA-N
XLogP3.36
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide
CID 64950472
N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide
CID 95378036
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
3-fluoro-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 115645942
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide
CID 64949894
3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 115645750
2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55915530
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 43006008
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 115646115

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide (CID 119032821) is 3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccncc1F)c1ccc(NC(=O)c2ccncc2)cc1.
What is the InChIKey of 3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide?
The InChIKey is LDAGVWAQDFYUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-13(24-20(27)17-8-11-23-12-18(17)21)14-2-4-16(5-3-14)25-19(26)15-6-9-22-10-7-15/h2-13H,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide?
3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 119032821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).