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

C17H25N5 — CID 91808031

IUPACN'-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C17H25N5/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-20-11-14)22(3)7-6-19-2/h8-12,19H,4-7H2,1-3H3,(H2,18,21)
InChIKeyBAILAIZRWKFZJT-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.81
Rot. Bonds7

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

N'-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 91808031) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is N'-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID91808031
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC NameN'-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C17H25N5/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-20-11-14)22(3)7-6-19-2/h8-12,19H,4-7H2,1-3H3,(H2,18,21)
InChIKeyBAILAIZRWKFZJT-UHFFFAOYSA-N
XLogP1.81
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine (CID 91808031) is N'-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1.
What is the InChIKey of N'-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is BAILAIZRWKFZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-20-11-14)22(3)7-6-19-2/h8-12,19H,4-7H2,1-3H3,(H2,18,21).
What are the key properties of N'-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
N'-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 299.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 91808031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).