3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile

C23H25N5 — CID 71254035

IUPAC3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile
SMILESCc1cc(N)nc(CCc2cc(C#N)cc(CCc3cc(C)cc(N)n3)c2)c1
InChIInChI=1S/C23H25N5/c1-15-7-20(27-22(25)9-15)5-3-17-11-18(13-19(12-17)14-24)4-6-21-8-16(2)10-23(26)28-21/h7-13H,3-6H2,1-2H3,(H2,25,27)(H2,26,28)
InChIKeyIXUSJKAERUMZME-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.70
Rot. Bonds6

About 3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile

3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile (PubChem CID 71254035) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile.

Molecular Properties

Compound Name3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile
PubChem CID71254035
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile
SMILESCc1cc(N)nc(CCc2cc(C#N)cc(CCc3cc(C)cc(N)n3)c2)c1
InChIInChI=1S/C23H25N5/c1-15-7-20(27-22(25)9-15)5-3-17-11-18(13-19(12-17)14-24)4-6-21-8-16(2)10-23(26)28-21/h7-13H,3-6H2,1-2H3,(H2,25,27)(H2,26,28)
InChIKeyIXUSJKAERUMZME-UHFFFAOYSA-N
XLogP3.70
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Aminoquinoline-3-carbonitrile
CID 268505
ST001233
CID 610514
2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
2-Amino-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
CID 695136
2-Amino-4,6-dimethyl-3-pyridinecarbonitrile
CID 230471
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
NOS Inhibitor, 3h
CID 46892701
6-(2-{3-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]phenyl}ethyl)-4-Methylpyridin-2-Amine
CID 46892821
6,6'-(Pyridine-2,6-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46892824
6-(2-{6-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]pyridin-2-Yl}ethyl)-4-Methylpyridin-2-Amine
CID 46892825

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile?
The IUPAC name of 3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile (CID 71254035) is 3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile.
What is the SMILES notation for 3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile?
The canonical SMILES for 3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile is Cc1cc(N)nc(CCc2cc(C#N)cc(CCc3cc(C)cc(N)n3)c2)c1.
What is the InChIKey of 3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile?
The InChIKey is IXUSJKAERUMZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-15-7-20(27-22(25)9-15)5-3-17-11-18(13-19(12-17)14-24)4-6-21-8-16(2)10-23(26)28-21/h7-13H,3-6H2,1-2H3,(H2,25,27)(H2,26,28).
What are the key properties of 3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile?
3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile has a molecular weight of 371.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile is sourced from PubChem (CID 71254035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).