6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide

C21H18F2N4O2 — CID 154837884

IUPAC6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(F)nc1)c1ccc(CNC(=O)c2ccc(F)nc2)cc1
InChIInChI=1S/C21H18F2N4O2/c1-13(27-21(29)17-7-9-19(23)25-12-17)15-4-2-14(3-5-15)10-26-20(28)16-6-8-18(22)24-11-16/h2-9,11-13H,10H2,1H3,(H,26,28)(H,27,29)
InChIKeyQLOIJZQSRZMCIJ-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.18
Rot. Bonds6

About 6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide

6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 154837884) has the molecular formula C21H18F2N4O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is 6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID154837884
Molecular FormulaC21H18F2N4O2
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(F)nc1)c1ccc(CNC(=O)c2ccc(F)nc2)cc1
InChIInChI=1S/C21H18F2N4O2/c1-13(27-21(29)17-7-9-19(23)25-12-17)15-4-2-14(3-5-15)10-26-20(28)16-6-8-18(22)24-11-16/h2-9,11-13H,10H2,1H3,(H,26,28)(H,27,29)
InChIKeyQLOIJZQSRZMCIJ-UHFFFAOYSA-N
XLogP3.18
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 63971799
6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 146193236
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 63977964
N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide
CID 155966958
N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide
CID 115674679
6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 63978404
N-[1-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 134016008
4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide
CID 78775923
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
methyl 2-[(6-fluoropyridine-3-carbonyl)amino]propanoate
CID 63977637

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide (CID 154837884) is 6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide is CC(NC(=O)c1ccc(F)nc1)c1ccc(CNC(=O)c2ccc(F)nc2)cc1.
What is the InChIKey of 6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is QLOIJZQSRZMCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2/c1-13(27-21(29)17-7-9-19(23)25-12-17)15-4-2-14(3-5-15)10-26-20(28)16-6-8-18(22)24-11-16/h2-9,11-13H,10H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide?
6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 154837884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).