2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile

C19H24N4O — CID 175073119

IUPAC2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile
SMILESCc1nc(OC[C@@](C)(N)CC(C)C)c(C#N)cc1-c1ccncc1
InChIInChI=1S/C19H24N4O/c1-13(2)10-19(4,21)12-24-18-16(11-20)9-17(14(3)23-18)15-5-7-22-8-6-15/h5-9,13H,10,12,21H2,1-4H3/t19-/m0/s1
InChIKeyGCOJILBPTFCHRV-IBGZPJMESA-N
MW324.43 g/mol
LogP3.47
Rot. Bonds6

About 2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile

2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile (PubChem CID 175073119) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile
PubChem CID175073119
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile
SMILESCc1nc(OC[C@@](C)(N)CC(C)C)c(C#N)cc1-c1ccncc1
InChIInChI=1S/C19H24N4O/c1-13(2)10-19(4,21)12-24-18-16(11-20)9-17(14(3)23-18)15-5-7-22-8-6-15/h5-9,13H,10,12,21H2,1-4H3/t19-/m0/s1
InChIKeyGCOJILBPTFCHRV-IBGZPJMESA-N
XLogP3.47
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile (CID 175073119) is 2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile is Cc1nc(OC[C@@](C)(N)CC(C)C)c(C#N)cc1-c1ccncc1.
What is the InChIKey of 2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile?
The InChIKey is GCOJILBPTFCHRV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O/c1-13(2)10-19(4,21)12-24-18-16(11-20)9-17(14(3)23-18)15-5-7-22-8-6-15/h5-9,13H,10,12,21H2,1-4H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile?
2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 175073119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).