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

C17H24N4 — CID 121312091

IUPACN'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N'-methylethane-1,2-diamine
SMILESCc1cc(N)nc(CCc2cccc(N(C)CCN)c2)c1
InChIInChI=1S/C17H24N4/c1-13-10-15(20-17(19)11-13)7-6-14-4-3-5-16(12-14)21(2)9-8-18/h3-5,10-12H,6-9,18H2,1-2H3,(H2,19,20)
InChIKeyVBHYLMXKEWJPQR-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.15
Rot. Bonds6

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

N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N'-methylethane-1,2-diamine (PubChem CID 121312091) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N'-methylethane-1,2-diamine
PubChem CID121312091
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N'-methylethane-1,2-diamine
SMILESCc1cc(N)nc(CCc2cccc(N(C)CCN)c2)c1
InChIInChI=1S/C17H24N4/c1-13-10-15(20-17(19)11-13)7-6-14-4-3-5-16(12-14)21(2)9-8-18/h3-5,10-12H,6-9,18H2,1-2H3,(H2,19,20)
InChIKeyVBHYLMXKEWJPQR-UHFFFAOYSA-N
XLogP2.15
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

Blonanserin
CID 125564
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-((3S,4S)-4-((6-Amino-4-methylpyridin-2-YL)methyl)pyrrolidin-3-YL)-N'-(4-chlorobenzyl)ethane-1,2-diamine
CID 24798097
N-((3R,4S)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)-N'-(3-chlorobenzyl)ethane-1,2-diamine
CID 25021186
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
ST001233
CID 610514
N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine
CID 24850786
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
4-Methyl-6-propylpyridin-2-amine
CID 9855524
6-Isobutyl-4-methylpyridin-2-amine
CID 10197851

Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N'-methylethane-1,2-diamine (CID 121312091) is N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N'-methylethane-1,2-diamine is Cc1cc(N)nc(CCc2cccc(N(C)CCN)c2)c1.
What is the InChIKey of N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N'-methylethane-1,2-diamine?
The InChIKey is VBHYLMXKEWJPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-10-15(20-17(19)11-13)7-6-14-4-3-5-16(12-14)21(2)9-8-18/h3-5,10-12H,6-9,18H2,1-2H3,(H2,19,20).
What are the key properties of N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N'-methylethane-1,2-diamine?
N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N'-methylethane-1,2-diamine has a molecular weight of 284.41 g/mol, XLogP of 2.15, 6 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]phenyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 121312091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).