5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile

C16H16N8O — CID 162652202

IUPAC5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCC3CNCCO3)c(C#N)cn2)cn1
InChIInChI=1S/C16H16N8O/c17-4-11-6-22-15(24-16-10-20-12(5-18)7-23-16)3-14(11)21-9-13-8-19-1-2-25-13/h3,6-7,10,13,19H,1-2,8-9H2,(H2,21,22,23,24)
InChIKeyKMHIWCNISWJNOZ-UHFFFAOYSA-N
MW336.36 g/mol
LogP0.76
Rot. Bonds5

About 5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile

5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 162652202) has the molecular formula C16H16N8O and a molecular weight of 336.36 g/mol. Its IUPAC name is 5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
PubChem CID162652202
Molecular FormulaC16H16N8O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCC3CNCCO3)c(C#N)cn2)cn1
InChIInChI=1S/C16H16N8O/c17-4-11-6-22-15(24-16-10-20-12(5-18)7-23-16)3-14(11)21-9-13-8-19-1-2-25-13/h3,6-7,10,13,19H,1-2,8-9H2,(H2,21,22,23,24)
InChIKeyKMHIWCNISWJNOZ-UHFFFAOYSA-N
XLogP0.76
TPSA131.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 162652202) is 5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NCC3CNCCO3)c(C#N)cn2)cn1.
What is the InChIKey of 5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is KMHIWCNISWJNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O/c17-4-11-6-22-15(24-16-10-20-12(5-18)7-23-16)3-14(11)21-9-13-8-19-1-2-25-13/h3,6-7,10,13,19H,1-2,8-9H2,(H2,21,22,23,24).
What are the key properties of 5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 336.36 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 162652202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).