5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile

C15H21N3O — CID 125436459

IUPAC5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(C#N)c(NCC[C@H]2CCCOC2)nc1C
InChIInChI=1S/C15H21N3O/c1-11-8-14(9-16)15(18-12(11)2)17-6-5-13-4-3-7-19-10-13/h8,13H,3-7,10H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyMUSBXPLLZVQMQN-CYBMUJFWSA-N
MW259.35 g/mol
LogP2.80
Rot. Bonds4

About 5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile

5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile (PubChem CID 125436459) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile
PubChem CID125436459
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(C#N)c(NCC[C@H]2CCCOC2)nc1C
InChIInChI=1S/C15H21N3O/c1-11-8-14(9-16)15(18-12(11)2)17-6-5-13-4-3-7-19-10-13/h8,13H,3-7,10H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyMUSBXPLLZVQMQN-CYBMUJFWSA-N
XLogP2.80
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile (CID 125436459) is 5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile is Cc1cc(C#N)c(NCC[C@H]2CCCOC2)nc1C.
What is the InChIKey of 5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile?
The InChIKey is MUSBXPLLZVQMQN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-8-14(9-16)15(18-12(11)2)17-6-5-13-4-3-7-19-10-13/h8,13H,3-7,10H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of 5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile?
5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 125436459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).