2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide

C19H21N7O2 — CID 166319688

IUPAC2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide
SMILESCc1cc(C(=O)NCC2CCCN(c3nccnc3C#N)C2)ncc1C(N)=O
InChIInChI=1S/C19H21N7O2/c1-12-7-15(24-10-14(12)17(21)27)19(28)25-9-13-3-2-6-26(11-13)18-16(8-20)22-4-5-23-18/h4-5,7,10,13H,2-3,6,9,11H2,1H3,(H2,21,27)(H,25,28)
InChIKeyQSWXZSMBWYWJAI-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.80
Rot. Bonds5

About 2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide

2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide (PubChem CID 166319688) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide
PubChem CID166319688
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide
SMILESCc1cc(C(=O)NCC2CCCN(c3nccnc3C#N)C2)ncc1C(N)=O
InChIInChI=1S/C19H21N7O2/c1-12-7-15(24-10-14(12)17(21)27)19(28)25-9-13-3-2-6-26(11-13)18-16(8-20)22-4-5-23-18/h4-5,7,10,13H,2-3,6,9,11H2,1H3,(H2,21,27)(H,25,28)
InChIKeyQSWXZSMBWYWJAI-UHFFFAOYSA-N
XLogP0.80
TPSA137.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide (CID 166319688) is 2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide is Cc1cc(C(=O)NCC2CCCN(c3nccnc3C#N)C2)ncc1C(N)=O.
What is the InChIKey of 2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide?
The InChIKey is QSWXZSMBWYWJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-12-7-15(24-10-14(12)17(21)27)19(28)25-9-13-3-2-6-26(11-13)18-16(8-20)22-4-5-23-18/h4-5,7,10,13H,2-3,6,9,11H2,1H3,(H2,21,27)(H,25,28).
What are the key properties of 2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide?
2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide has a molecular weight of 379.42 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 166319688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).