5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine

C16H20FN3 — CID 104533243

IUPAC5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H20FN3/c1-3-8-19-15-9-16(11-18-10-15)20(2)12-13-4-6-14(17)7-5-13/h4-7,9-11,19H,3,8,12H2,1-2H3
InChIKeySPFOEEWIKDQVHX-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.68
Rot. Bonds6

About 5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine

5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine (PubChem CID 104533243) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
PubChem CID104533243
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H20FN3/c1-3-8-19-15-9-16(11-18-10-15)20(2)12-13-4-6-14(17)7-5-13/h4-7,9-11,19H,3,8,12H2,1-2H3
InChIKeySPFOEEWIKDQVHX-UHFFFAOYSA-N
XLogP3.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104531987
5-N-methyl-3-N-propyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533005
5-N-[(2-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104533240
5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533339
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine
CID 80794812
2-[methyl-[5-(propylamino)-3-pyridinyl]amino]ethanol
CID 104532770
5-N-methyl-3-N-propyl-5-N-(3,3,3-trifluoropropyl)pyridine-3,5-diamine
CID 104535065
5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534718
4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline
CID 62436761
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
CID 115212690
N,N-dimethyl-2-[methyl-[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 104532890
5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 104533765

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine (CID 104533243) is 5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(N(C)Cc2ccc(F)cc2)c1.
What is the InChIKey of 5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine?
The InChIKey is SPFOEEWIKDQVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-3-8-19-15-9-16(11-18-10-15)20(2)12-13-4-6-14(17)7-5-13/h4-7,9-11,19H,3,8,12H2,1-2H3.
What are the key properties of 5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine?
5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine has a molecular weight of 273.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104533243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).