5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile

C19H21N9O — CID 59613513

IUPAC5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCc1noc(-c2cnc(Nc3cnc(C#N)cn3)cc2NCC2CCNCC2)n1
InChIInChI=1S/C19H21N9O/c1-12-26-19(29-28-12)15-10-25-17(27-18-11-22-14(7-20)9-24-18)6-16(15)23-8-13-2-4-21-5-3-13/h6,9-11,13,21H,2-5,8H2,1H3,(H2,23,24,25,27)
InChIKeyDLCWOIUMTMBPNM-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.26
Rot. Bonds6

About 5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile

5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 59613513) has the molecular formula C19H21N9O and a molecular weight of 391.44 g/mol. Its IUPAC name is 5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
PubChem CID59613513
Molecular FormulaC19H21N9O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCc1noc(-c2cnc(Nc3cnc(C#N)cn3)cc2NCC2CCNCC2)n1
InChIInChI=1S/C19H21N9O/c1-12-26-19(29-28-12)15-10-25-17(27-18-11-22-14(7-20)9-24-18)6-16(15)23-8-13-2-4-21-5-3-13/h6,9-11,13,21H,2-5,8H2,1H3,(H2,23,24,25,27)
InChIKeyDLCWOIUMTMBPNM-UHFFFAOYSA-N
XLogP2.26
TPSA137.47 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 59613513) is 5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile is Cc1noc(-c2cnc(Nc3cnc(C#N)cn3)cc2NCC2CCNCC2)n1.
What is the InChIKey of 5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is DLCWOIUMTMBPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O/c1-12-26-19(29-28-12)15-10-25-17(27-18-11-22-14(7-20)9-24-18)6-16(15)23-8-13-2-4-21-5-3-13/h6,9-11,13,21H,2-5,8H2,1H3,(H2,23,24,25,27).
What are the key properties of 5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 391.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 59613513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).