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

C20H27FN4 — CID 91808028

IUPACN'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N'-cyclopropyl-N-methylethane-1,2-diamine
SMILESCNCCN(c1cc(F)cc(CCc2cc(C)cc(N)n2)c1)C1CC1
InChIInChI=1S/C20H27FN4/c1-14-9-17(24-20(22)10-14)4-3-15-11-16(21)13-19(12-15)25(8-7-23-2)18-5-6-18/h9-13,18,23H,3-8H2,1-2H3,(H2,22,24)
InChIKeyCZBLKBKVAIKTJH-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.08
Rot. Bonds8

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

N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N'-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 91808028) has the molecular formula C20H27FN4 and a molecular weight of 342.46 g/mol. Its IUPAC name is N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N'-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N'-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID91808028
Molecular FormulaC20H27FN4
Molecular Weight342.46 g/mol
Exact Mass342.22
IUPAC NameN'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N'-cyclopropyl-N-methylethane-1,2-diamine
SMILESCNCCN(c1cc(F)cc(CCc2cc(C)cc(N)n2)c1)C1CC1
InChIInChI=1S/C20H27FN4/c1-14-9-17(24-20(22)10-14)4-3-15-11-16(21)13-19(12-15)25(8-7-23-2)18-5-6-18/h9-13,18,23H,3-8H2,1-2H3,(H2,22,24)
InChIKeyCZBLKBKVAIKTJH-UHFFFAOYSA-N
XLogP3.08
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.08
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'-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N'-cyclopropyl-N-methylethane-1,2-diamine (CID 91808028) is N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N'-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N'-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N'-cyclopropyl-N-methylethane-1,2-diamine is CNCCN(c1cc(F)cc(CCc2cc(C)cc(N)n2)c1)C1CC1.
What is the InChIKey of N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N'-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is CZBLKBKVAIKTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4/c1-14-9-17(24-20(22)10-14)4-3-15-11-16(21)13-19(12-15)25(8-7-23-2)18-5-6-18/h9-13,18,23H,3-8H2,1-2H3,(H2,22,24).
What are the key properties of N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N'-cyclopropyl-N-methylethane-1,2-diamine?
N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-fluorophenyl]-N'-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 342.46 g/mol, XLogP of 3.08, 8 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'-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 91808028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).