5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile

C15H16ClN7O — CID 162654562

IUPAC5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(Cl)cn2)cn1
InChIInChI=1S/C15H16ClN7O/c16-12-8-22-14(23-15-9-19-10(4-17)5-21-15)3-13(12)20-7-11-6-18-1-2-24-11/h3,5,8-9,11,18H,1-2,6-7H2,(H2,20,21,22,23)/t11-/m1/s1
InChIKeyBSNBUKMEBPSBIJ-LLVKDONJSA-N
MW345.79 g/mol
LogP1.54
Rot. Bonds5

About 5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile

5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 162654562) has the molecular formula C15H16ClN7O and a molecular weight of 345.79 g/mol. Its IUPAC name is 5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
PubChem CID162654562
Molecular FormulaC15H16ClN7O
Molecular Weight345.79 g/mol
Exact Mass345.11
IUPAC Name5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(Cl)cn2)cn1
InChIInChI=1S/C15H16ClN7O/c16-12-8-22-14(23-15-9-19-10(4-17)5-21-15)3-13(12)20-7-11-6-18-1-2-24-11/h3,5,8-9,11,18H,1-2,6-7H2,(H2,20,21,22,23)/t11-/m1/s1
InChIKeyBSNBUKMEBPSBIJ-LLVKDONJSA-N
XLogP1.54
TPSA107.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 162654562) is 5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(Cl)cn2)cn1.
What is the InChIKey of 5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is BSNBUKMEBPSBIJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClN7O/c16-12-8-22-14(23-15-9-19-10(4-17)5-21-15)3-13(12)20-7-11-6-18-1-2-24-11/h3,5,8-9,11,18H,1-2,6-7H2,(H2,20,21,22,23)/t11-/m1/s1.
What are the key properties of 5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 345.79 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 162654562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).