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

C19H25N5 — CID 91808026

IUPAC3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile
SMILESCNCCN(C)c1cc(C#N)cc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23)
InChIKeyRYFZEWNGJTVNMY-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.28
Rot. Bonds7

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

3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile (PubChem CID 91808026) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile.

Molecular Properties

Compound Name3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile
PubChem CID91808026
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile
SMILESCNCCN(C)c1cc(C#N)cc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23)
InChIKeyRYFZEWNGJTVNMY-UHFFFAOYSA-N
XLogP2.28
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ST001233
CID 610514
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
N-{(3r,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 24764596
N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 24798098
N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 45259040
N-{(3s,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 45259041
6,6'-[(5-Aminobenzene-1,3-Diyl)diethane-2,1-Diyl]bis(4-Methylpyridin-2-Amine)
CID 49852670
3,5-Bis[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]benzonitrile
CID 71254035
6,6'-{[5-(Aminomethyl)benzene-1,3-Diyl]diethane-2,1-Diyl}bis(4-Methylpyridin-2-Amine)
CID 71260796
6,6'-{[5-(3-Aminopropyl)benzene-1,3-Diyl]diethane-2,1-Diyl}bis(4-Methylpyridin-2-Amine)
CID 71304800
6-[(2s)-2-Amino-2-{3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]phenyl}ethyl]-4-Methylpyridin-2-Amine
CID 73659112
(R)-6-(2-Amino-2-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)phenyl)ethyl)-4-Methylpyridin-2-Amine
CID 73659113

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile?
The IUPAC name of 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile (CID 91808026) is 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile.
What is the SMILES notation for 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile?
The canonical SMILES for 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile is CNCCN(C)c1cc(C#N)cc(CCc2cc(C)cc(N)n2)c1.
What is the InChIKey of 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile?
The InChIKey is RYFZEWNGJTVNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23).
What are the key properties of 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile?
3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile has a molecular weight of 323.44 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile is sourced from PubChem (CID 91808026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).