2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile

C36H49N5 — CID 159132769

IUPAC2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile
SMILESCC(C)c1cccnc1.CC(C)c1cnccc1C#N.Cc1ccnc(C)c1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/C10H15N.C9H10N2.C9H13N.C8H11N/c1-7(2)10-8(3)5-6-11-9(10)4;1-7(2)9-6-11-4-3-8(9)5-10;1-7(2)9-5-4-6-10-8(9)3;1-7(2)8-4-3-5-9-6-8/h5-7H,1-4H3;3-4,6-7H,1-2H3;4-7H,1-3H3;3-7H,1-2H3
InChIKeyKHCLXARBMUFGOK-UHFFFAOYSA-N
MW551.82 g/mol
LogP9.62
Rot. Bonds4

About 2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile

2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile (PubChem CID 159132769) has the molecular formula C36H49N5 and a molecular weight of 551.82 g/mol. Its IUPAC name is 2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile
PubChem CID159132769
Molecular FormulaC36H49N5
Molecular Weight551.82 g/mol
Exact Mass551.40
IUPAC Name2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile
SMILESCC(C)c1cccnc1.CC(C)c1cnccc1C#N.Cc1ccnc(C)c1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/C10H15N.C9H10N2.C9H13N.C8H11N/c1-7(2)10-8(3)5-6-11-9(10)4;1-7(2)9-6-11-4-3-8(9)5-10;1-7(2)9-5-4-6-10-8(9)3;1-7(2)8-4-3-5-9-6-8/h5-7H,1-4H3;3-4,6-7H,1-2H3;4-7H,1-3H3;3-7H,1-2H3
InChIKeyKHCLXARBMUFGOK-UHFFFAOYSA-N
XLogP9.62
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.82
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

ethane;2-methyl-3-propan-2-ylpyridine
CID 142858508
ethane;2-methyl-3-propan-2-ylpyridine;vanadium
CID 143650392
2-[hydroxy(pyridin-3-yl)methyl]benzonitrile
CID 69484555
methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 177028413
ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)
CID 167681934
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
2-[aminooxy(pyridin-3-yl)methyl]benzonitrile
CID 69032428
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
CID 158875666
2-(3-methyl-4-pyridinyl)pyridine-3-carbonitrile
CID 58049948
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile
CID 15079840
4-propan-2-yl-1,5-naphthyridine-3-carbonitrile
CID 89399746

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile?
The IUPAC name of 2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile (CID 159132769) is 2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile.
What is the SMILES notation for 2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile?
The canonical SMILES for 2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile is CC(C)c1cccnc1.CC(C)c1cnccc1C#N.Cc1ccnc(C)c1C(C)C.Cc1ncccc1C(C)C.
What is the InChIKey of 2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile?
The InChIKey is KHCLXARBMUFGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H10N2.C9H13N.C8H11N/c1-7(2)10-8(3)5-6-11-9(10)4;1-7(2)9-6-11-4-3-8(9)5-10;1-7(2)9-5-4-6-10-8(9)3;1-7(2)8-4-3-5-9-6-8/h5-7H,1-4H3;3-4,6-7H,1-2H3;4-7H,1-3H3;3-7H,1-2H3.
What are the key properties of 2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile?
2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile has a molecular weight of 551.82 g/mol, XLogP of 9.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carbonitrile is sourced from PubChem (CID 159132769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).