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

C24H27N5 — CID 86346620

IUPAC3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[2-[4-methyl-6-(methylamino)-2-pyridinyl]ethyl]benzonitrile
SMILESCNc1cc(C)cc(CCc2cc(C#N)cc(CCc3cc(C)cc(N)n3)c2)n1
InChIInChI=1S/C24H27N5/c1-16-8-21(28-23(26)10-16)6-4-18-12-19(14-20(13-18)15-25)5-7-22-9-17(2)11-24(27-3)29-22/h8-14H,4-7H2,1-3H3,(H2,26,28)(H,27,29)
InChIKeyBRINXWNTHLFLSM-UHFFFAOYSA-N
MW385.52 g/mol
LogP4.16
Rot. Bonds7

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

3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[2-[4-methyl-6-(methylamino)-2-pyridinyl]ethyl]benzonitrile (PubChem CID 86346620) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[2-[4-methyl-6-(methylamino)-2-pyridinyl]ethyl]benzonitrile.

Molecular Properties

Compound Name3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[2-[4-methyl-6-(methylamino)-2-pyridinyl]ethyl]benzonitrile
PubChem CID86346620
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[2-[4-methyl-6-(methylamino)-2-pyridinyl]ethyl]benzonitrile
SMILESCNc1cc(C)cc(CCc2cc(C#N)cc(CCc3cc(C)cc(N)n3)c2)n1
InChIInChI=1S/C24H27N5/c1-16-8-21(28-23(26)10-16)6-4-18-12-19(14-20(13-18)15-25)5-7-22-9-17(2)11-24(27-3)29-22/h8-14H,4-7H2,1-3H3,(H2,26,28)(H,27,29)
InChIKeyBRINXWNTHLFLSM-UHFFFAOYSA-N
XLogP4.16
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine
CID 71260796
6-[2-[3-fluoro-5-[3-(methylaminomethyl)phenyl]phenyl]ethyl]-4-methylpyridin-2-amine
CID 134686798
6-(aminomethyl)-4-methylpyridin-2-amine
CID 45079728
6-[2-(3-fluorophenyl)ethyl]-4-methylpyridin-2-amine;methane
CID 145078015
2,6-diaminopyridine-4-carbonitrile
CID 55284821
3-(2-hydroxyethyl)-5-methylbenzonitrile
CID 70065203
4-methylpyridine-2,6-diamine
CID 3015981
methyl 2-(6-amino-4-cyano-2-pyridinyl)acetate
CID 130777632
6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine
CID 176515337
2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 114765767
3,5-dimethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methoxy]benzonitrile
CID 80664092
2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile
CID 114769974

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[2-[4-methyl-6-(methylamino)-2-pyridinyl]ethyl]benzonitrile?
The IUPAC name of 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[2-[4-methyl-6-(methylamino)-2-pyridinyl]ethyl]benzonitrile (CID 86346620) is 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[2-[4-methyl-6-(methylamino)-2-pyridinyl]ethyl]benzonitrile.
What is the SMILES notation for 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[2-[4-methyl-6-(methylamino)-2-pyridinyl]ethyl]benzonitrile?
The canonical SMILES for 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[2-[4-methyl-6-(methylamino)-2-pyridinyl]ethyl]benzonitrile is CNc1cc(C)cc(CCc2cc(C#N)cc(CCc3cc(C)cc(N)n3)c2)n1.
What is the InChIKey of 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[2-[4-methyl-6-(methylamino)-2-pyridinyl]ethyl]benzonitrile?
The InChIKey is BRINXWNTHLFLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-16-8-21(28-23(26)10-16)6-4-18-12-19(14-20(13-18)15-25)5-7-22-9-17(2)11-24(27-3)29-22/h8-14H,4-7H2,1-3H3,(H2,26,28)(H,27,29).
What are the key properties of 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[2-[4-methyl-6-(methylamino)-2-pyridinyl]ethyl]benzonitrile?
3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[2-[4-methyl-6-(methylamino)-2-pyridinyl]ethyl]benzonitrile has a molecular weight of 385.52 g/mol, XLogP of 4.16, 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-[2-[4-methyl-6-(methylamino)-2-pyridinyl]ethyl]benzonitrile is sourced from PubChem (CID 86346620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).