N-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide

C15H20N6O — CID 95825907

IUPACN-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide
SMILESCn1ccnc1CNC(=O)c1cnc(C2CCNCC2)cn1
InChIInChI=1S/C15H20N6O/c1-21-7-6-17-14(21)10-20-15(22)13-9-18-12(8-19-13)11-2-4-16-5-3-11/h6-9,11,16H,2-5,10H2,1H3,(H,20,22)
InChIKeyPYDNBWCCDFHEGF-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.61
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide (PubChem CID 95825907) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide
PubChem CID95825907
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide
SMILESCn1ccnc1CNC(=O)c1cnc(C2CCNCC2)cn1
InChIInChI=1S/C15H20N6O/c1-21-7-6-17-14(21)10-20-15(22)13-9-18-12(8-19-13)11-2-4-16-5-3-11/h6-9,11,16H,2-5,10H2,1H3,(H,20,22)
InChIKeyPYDNBWCCDFHEGF-UHFFFAOYSA-N
XLogP0.61
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide (CID 95825907) is N-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide is Cn1ccnc1CNC(=O)c1cnc(C2CCNCC2)cn1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide?
The InChIKey is PYDNBWCCDFHEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-21-7-6-17-14(21)10-20-15(22)13-9-18-12(8-19-13)11-2-4-16-5-3-11/h6-9,11,16H,2-5,10H2,1H3,(H,20,22).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 95825907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).