2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide

C19H16F2N4O2 — CID 66843734

IUPAC2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESNc1nc(N)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1F
InChIInChI=1S/C19H16F2N4O2/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)10-24-19(26)15-9-16(21)18(23)25-17(15)22/h1-9H,10H2,(H,24,26)(H4,22,23,25)
InChIKeyTXYXSZLOVFOXPE-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.25
Rot. Bonds5

About 2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide

2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 66843734) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID66843734
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESNc1nc(N)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1F
InChIInChI=1S/C19H16F2N4O2/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)10-24-19(26)15-9-16(21)18(23)25-17(15)22/h1-9H,10H2,(H,24,26)(H4,22,23,25)
InChIKeyTXYXSZLOVFOXPE-UHFFFAOYSA-N
XLogP3.25
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104423
2-amino-6-fluoro-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104478
2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843895
2-amino-N-[[4-[3-fluoro-4-(trifluoromethyl)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843636
2-amino-N-[[4-[3-fluoro-5-(trifluoromethoxy)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843358
2-amino-6-fluoro-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843134
2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 26999108
2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843564
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde
CID 158407094
2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843843
2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 70831046

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide (CID 66843734) is 2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide is Nc1nc(N)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1F.
What is the InChIKey of 2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is TXYXSZLOVFOXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)10-24-19(26)15-9-16(21)18(23)25-17(15)22/h1-9H,10H2,(H,24,26)(H4,22,23,25).
What are the key properties of 2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide?
2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66843734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).