6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile

C20H33N3 — CID 142469626

IUPAC6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile
SMILESCCC(C)(CC)C(C)(CNc1cc(C)c(C#N)c(C)n1)C(C)C
InChIInChI=1S/C20H33N3/c1-9-19(7,10-2)20(8,14(3)4)13-22-18-11-15(5)17(12-21)16(6)23-18/h11,14H,9-10,13H2,1-8H3,(H,22,23)
InChIKeyVOYTWKNIEMIYDV-UHFFFAOYSA-N
MW315.51 g/mol
LogP5.47
Rot. Bonds7

About 6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile

6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 142469626) has the molecular formula C20H33N3 and a molecular weight of 315.51 g/mol. Its IUPAC name is 6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile
PubChem CID142469626
Molecular FormulaC20H33N3
Molecular Weight315.51 g/mol
Exact Mass315.27
IUPAC Name6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile
SMILESCCC(C)(CC)C(C)(CNc1cc(C)c(C#N)c(C)n1)C(C)C
InChIInChI=1S/C20H33N3/c1-9-19(7,10-2)20(8,14(3)4)13-22-18-11-15(5)17(12-21)16(6)23-18/h11,14H,9-10,13H2,1-8H3,(H,22,23)
InChIKeyVOYTWKNIEMIYDV-UHFFFAOYSA-N
XLogP5.47
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.51
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile (CID 142469626) is 6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile is CCC(C)(CC)C(C)(CNc1cc(C)c(C#N)c(C)n1)C(C)C.
What is the InChIKey of 6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is VOYTWKNIEMIYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3/c1-9-19(7,10-2)20(8,14(3)4)13-22-18-11-15(5)17(12-21)16(6)23-18/h11,14H,9-10,13H2,1-8H3,(H,22,23).
What are the key properties of 6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile?
6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 315.51 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)amino]-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 142469626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).