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

C22H23N7 — CID 59613387

IUPAC5-[[5-phenyl-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCC3CCNCC3)c(-c3ccccc3)cn2)cn1
InChIInChI=1S/C22H23N7/c23-11-18-13-27-22(15-25-18)29-21-10-20(26-12-16-6-8-24-9-7-16)19(14-28-21)17-4-2-1-3-5-17/h1-5,10,13-16,24H,6-9,12H2,(H2,26,27,28,29)
InChIKeyAVSYVWBDQYOGCV-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.57
Rot. Bonds6

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

5-[[5-phenyl-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 59613387) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 5-[[5-phenyl-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-phenyl-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
PubChem CID59613387
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name5-[[5-phenyl-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCC3CCNCC3)c(-c3ccccc3)cn2)cn1
InChIInChI=1S/C22H23N7/c23-11-18-13-27-22(15-25-18)29-21-10-20(26-12-16-6-8-24-9-7-16)19(14-28-21)17-4-2-1-3-5-17/h1-5,10,13-16,24H,6-9,12H2,(H2,26,27,28,29)
InChIKeyAVSYVWBDQYOGCV-UHFFFAOYSA-N
XLogP3.57
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-phenyl-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-phenyl-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 59613387) is 5-[[5-phenyl-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-phenyl-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-phenyl-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(-c3ccccc3)cn2)cn1.
What is the InChIKey of 5-[[5-phenyl-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is AVSYVWBDQYOGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c23-11-18-13-27-22(15-25-18)29-21-10-20(26-12-16-6-8-24-9-7-16)19(14-28-21)17-4-2-1-3-5-17/h1-5,10,13-16,24H,6-9,12H2,(H2,26,27,28,29).
What are the key properties of 5-[[5-phenyl-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
5-[[5-phenyl-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 385.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-phenyl-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 59613387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).