2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile

C15H22N4O — CID 122560218

IUPAC2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCCN1C[C@H](Nc2nc(C)cc(C)c2C#N)[C@@H](OC)C1
InChIInChI=1S/C15H22N4O/c1-5-19-8-13(14(9-19)20-4)18-15-12(7-16)10(2)6-11(3)17-15/h6,13-14H,5,8-9H2,1-4H3,(H,17,18)/t13-,14-/m0/s1
InChIKeyUVXUBWXPXHNOFG-KBPBESRZSA-N
MW274.37 g/mol
LogP1.70
Rot. Bonds4

About 2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile

2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 122560218) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID122560218
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCCN1C[C@H](Nc2nc(C)cc(C)c2C#N)[C@@H](OC)C1
InChIInChI=1S/C15H22N4O/c1-5-19-8-13(14(9-19)20-4)18-15-12(7-16)10(2)6-11(3)17-15/h6,13-14H,5,8-9H2,1-4H3,(H,17,18)/t13-,14-/m0/s1
InChIKeyUVXUBWXPXHNOFG-KBPBESRZSA-N
XLogP1.70
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile (CID 122560218) is 2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile is CCN1C[C@H](Nc2nc(C)cc(C)c2C#N)[C@@H](OC)C1.
What is the InChIKey of 2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is UVXUBWXPXHNOFG-KBPBESRZSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-19-8-13(14(9-19)20-4)18-15-12(7-16)10(2)6-11(3)17-15/h6,13-14H,5,8-9H2,1-4H3,(H,17,18)/t13-,14-/m0/s1.
What are the key properties of 2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile?
2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]amino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 122560218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).