6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile

C17H19N5O — CID 95576110

IUPAC6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile
SMILESC[C@@H]1CN(c2ccc(Nc3ccc(C#N)cn3)cn2)C[C@@H](C)O1
InChIInChI=1S/C17H19N5O/c1-12-10-22(11-13(2)23-12)17-6-4-15(9-20-17)21-16-5-3-14(7-18)8-19-16/h3-6,8-9,12-13H,10-11H2,1-2H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyIVOBQHRUGRFXDJ-CHWSQXEVSA-N
MW309.37 g/mol
LogP2.71
Rot. Bonds3

About 6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile

6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile (PubChem CID 95576110) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile
PubChem CID95576110
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile
SMILESC[C@@H]1CN(c2ccc(Nc3ccc(C#N)cn3)cn2)C[C@@H](C)O1
InChIInChI=1S/C17H19N5O/c1-12-10-22(11-13(2)23-12)17-6-4-15(9-20-17)21-16-5-3-14(7-18)8-19-16/h3-6,8-9,12-13H,10-11H2,1-2H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyIVOBQHRUGRFXDJ-CHWSQXEVSA-N
XLogP2.71
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile
CID 24691649
(2R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)morpholine
CID 143577570
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 97189278
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 75404111
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494
4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide
CID 144929971
6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile
CID 126891739
6-(3-morpholin-4-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 175647980
6-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24690625
6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile
CID 163351951
2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681902
[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 30047687

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile (CID 95576110) is 6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile is C[C@@H]1CN(c2ccc(Nc3ccc(C#N)cn3)cn2)C[C@@H](C)O1.
What is the InChIKey of 6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile?
The InChIKey is IVOBQHRUGRFXDJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-10-22(11-13(2)23-12)17-6-4-15(9-20-17)21-16-5-3-14(7-18)8-19-16/h3-6,8-9,12-13H,10-11H2,1-2H3,(H,19,21)/t12-,13-/m1/s1.
What are the key properties of 6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile?
6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 95576110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).