N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine

C18H25FN4 — CID 91819608

IUPACN'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22)
InChIKeyZVNKMLXKHZSKMN-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.55
Rot. Bonds7

About N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine

N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 91819608) has the molecular formula C18H25FN4 and a molecular weight of 316.42 g/mol. Its IUPAC name is N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID91819608
Molecular FormulaC18H25FN4
Molecular Weight316.42 g/mol
Exact Mass316.21
IUPAC NameN'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22)
InChIKeyZVNKMLXKHZSKMN-UHFFFAOYSA-N
XLogP2.55
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine (CID 91819608) is N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1.
What is the InChIKey of N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is ZVNKMLXKHZSKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22).
What are the key properties of N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine?
N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 316.42 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 91819608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).