5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile

C16H20ClN7O — CID 71462955

IUPAC5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile
SMILESCNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1Cl
InChIInChI=1S/C16H20ClN7O/c1-10(9-24(3)4)25-16-13(6-18)20-8-15(23-16)22-14-5-12(19-2)11(17)7-21-14/h5,7-8,10H,9H2,1-4H3,(H2,19,21,22,23)/t10-/m1/s1
InChIKeyJPSOGNSGIGWLIM-SNVBAGLBSA-N
MW361.84 g/mol
LogP2.51
Rot. Bonds7

About 5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile

5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile (PubChem CID 71462955) has the molecular formula C16H20ClN7O and a molecular weight of 361.84 g/mol. Its IUPAC name is 5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile
PubChem CID71462955
Molecular FormulaC16H20ClN7O
Molecular Weight361.84 g/mol
Exact Mass361.14
IUPAC Name5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile
SMILESCNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1Cl
InChIInChI=1S/C16H20ClN7O/c1-10(9-24(3)4)25-16-13(6-18)20-8-15(23-16)22-14-5-12(19-2)11(17)7-21-14/h5,7-8,10H,9H2,1-4H3,(H2,19,21,22,23)/t10-/m1/s1
InChIKeyJPSOGNSGIGWLIM-SNVBAGLBSA-N
XLogP2.51
TPSA98.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-ethynyl-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 71450436
3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-5-(trifluoromethyl)pyridin-2-yl]amino]pyrazine-2-carbonitrile
CID 71459486
5-[[5-cyclopropyl-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile
CID 71461218
3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-hydroxy-3-methylbut-1-ynyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 71461219
3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 71457583
5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 162654562
3-[1-(Dimethylamino)propan-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)pyridin-2-yl]amino]pyrazine-2-carbonitrile
CID 78074725
[2-[3-Cyano-6-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazin-2-yl]oxypropyl-methylamino]azanium
CID 164083605
3-[3-(Dimethylamino)prop-1-en-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 148116029
3-[1-[Amino(methyl)amino]propan-2-yloxy]-5-[[4-(methylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 164083606
N-(5-chloro-2-pyridinyl)-2-(3-cyanopyrazin-2-yl)oxyacetamide
CID 57633295
5-((5-Chloro-4-morpholinopyridin-2-yl)amino)pyrazine-2-carbonitrile
CID 59613401

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile (CID 71462955) is 5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile is CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1Cl.
What is the InChIKey of 5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile?
The InChIKey is JPSOGNSGIGWLIM-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20ClN7O/c1-10(9-24(3)4)25-16-13(6-18)20-8-15(23-16)22-14-5-12(19-2)11(17)7-21-14/h5,7-8,10H,9H2,1-4H3,(H2,19,21,22,23)/t10-/m1/s1.
What are the key properties of 5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile?
5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile has a molecular weight of 361.84 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 71462955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).