3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen

C19H28N6O2 — CID 160595614

IUPAC3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
SMILESCc1ncc(N2CCN(C(=O)C(C)C)CC2)nc1C(=O)Nc1ccccn1.[H][H].[H][H]
InChIInChI=1S/C19H24N6O2.2H2/c1-13(2)19(27)25-10-8-24(9-11-25)16-12-21-14(3)17(23-16)18(26)22-15-6-4-5-7-20-15;;/h4-7,12-13H,8-11H2,1-3H3,(H,20,22,26);2*1H
InChIKeyRDOYDHMVQJMDKQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.23
Rot. Bonds4

About 3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen

3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen (PubChem CID 160595614) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
PubChem CID160595614
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen
SMILESCc1ncc(N2CCN(C(=O)C(C)C)CC2)nc1C(=O)Nc1ccccn1.[H][H].[H][H]
InChIInChI=1S/C19H24N6O2.2H2/c1-13(2)19(27)25-10-8-24(9-11-25)16-12-21-14(3)17(23-16)18(26)22-15-6-4-5-7-20-15;;/h4-7,12-13H,8-11H2,1-3H3,(H,20,22,26);2*1H
InChIKeyRDOYDHMVQJMDKQ-UHFFFAOYSA-N
XLogP2.23
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen (CID 160595614) is 3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen is Cc1ncc(N2CCN(C(=O)C(C)C)CC2)nc1C(=O)Nc1ccccn1.[H][H].[H][H].
What is the InChIKey of 3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is RDOYDHMVQJMDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2.2H2/c1-13(2)19(27)25-10-8-24(9-11-25)16-12-21-14(3)17(23-16)18(26)22-15-6-4-5-7-20-15;;/h4-7,12-13H,8-11H2,1-3H3,(H,20,22,26);2*1H.
What are the key properties of 3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen?
3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 372.47 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 160595614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).