5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile

C16H19N7O — CID 42610357

IUPAC5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(OCC3CCNCC3)c(N)cn2)cn1
InChIInChI=1S/C16H19N7O/c17-6-12-7-21-16(9-20-12)23-15-5-14(13(18)8-22-15)24-10-11-1-3-19-4-2-11/h5,7-9,11,19H,1-4,10,18H2,(H,21,22,23)
InChIKeyMJFMPXFWAGMSAU-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.45
Rot. Bonds5

About 5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile

5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 42610357) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile
PubChem CID42610357
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(OCC3CCNCC3)c(N)cn2)cn1
InChIInChI=1S/C16H19N7O/c17-6-12-7-21-16(9-20-12)23-15-5-14(13(18)8-22-15)24-10-11-1-3-19-4-2-11/h5,7-9,11,19H,1-4,10,18H2,(H,21,22,23)
InChIKeyMJFMPXFWAGMSAU-UHFFFAOYSA-N
XLogP1.45
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 42610357) is 5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(OCC3CCNCC3)c(N)cn2)cn1.
What is the InChIKey of 5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is MJFMPXFWAGMSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c17-6-12-7-21-16(9-20-12)23-15-5-14(13(18)8-22-15)24-10-11-1-3-19-4-2-11/h5,7-9,11,19H,1-4,10,18H2,(H,21,22,23).
What are the key properties of 5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 325.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 42610357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).