5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine

C15H18FN3 — CID 104532755

IUPAC5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NCc2cccc(F)c2)c1
InChIInChI=1S/C15H18FN3/c1-2-6-18-14-8-15(11-17-10-14)19-9-12-4-3-5-13(16)7-12/h3-5,7-8,10-11,18-19H,2,6,9H2,1H3
InChIKeySLNADYHHDSXIGB-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.65
Rot. Bonds6

About 5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine

5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine (PubChem CID 104532755) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
PubChem CID104532755
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NCc2cccc(F)c2)c1
InChIInChI=1S/C15H18FN3/c1-2-6-18-14-8-15(11-17-10-14)19-9-12-4-3-5-13(16)7-12/h3-5,7-8,10-11,18-19H,2,6,9H2,1H3
InChIKeySLNADYHHDSXIGB-UHFFFAOYSA-N
XLogP3.65
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-[(3-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533230
3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine
CID 104532744
5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534286
5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104532080
N-[(3-fluorophenyl)methyl]-4-propylaniline
CID 29045443
4-[[[5-(propylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 104534184
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104640089
N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
CID 62165093
5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine
CID 104535267
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478
6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine
CID 90412213

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine (CID 104532755) is 5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(NCc2cccc(F)c2)c1.
What is the InChIKey of 5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine?
The InChIKey is SLNADYHHDSXIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-2-6-18-14-8-15(11-17-10-14)19-9-12-4-3-5-13(16)7-12/h3-5,7-8,10-11,18-19H,2,6,9H2,1H3.
What are the key properties of 5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine?
5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine has a molecular weight of 259.33 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104532755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).