N-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide

C13H21N5O — CID 142403854

IUPACN-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide
SMILESCc1cnc(CNC=O)c(N2CCC(C)(N)CC2)n1
InChIInChI=1S/C13H21N5O/c1-10-7-16-11(8-15-9-19)12(17-10)18-5-3-13(2,14)4-6-18/h7,9H,3-6,8,14H2,1-2H3,(H,15,19)
InChIKeyHEXGDFQZDLJTML-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.35
Rot. Bonds4

About N-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide

N-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide (PubChem CID 142403854) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide
PubChem CID142403854
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide
SMILESCc1cnc(CNC=O)c(N2CCC(C)(N)CC2)n1
InChIInChI=1S/C13H21N5O/c1-10-7-16-11(8-15-9-19)12(17-10)18-5-3-13(2,14)4-6-18/h7,9H,3-6,8,14H2,1-2H3,(H,15,19)
InChIKeyHEXGDFQZDLJTML-UHFFFAOYSA-N
XLogP0.35
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide?
The IUPAC name of N-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide (CID 142403854) is N-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide.
What is the SMILES notation for N-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide?
The canonical SMILES for N-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide is Cc1cnc(CNC=O)c(N2CCC(C)(N)CC2)n1.
What is the InChIKey of N-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide?
The InChIKey is HEXGDFQZDLJTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10-7-16-11(8-15-9-19)12(17-10)18-5-3-13(2,14)4-6-18/h7,9H,3-6,8,14H2,1-2H3,(H,15,19).
What are the key properties of N-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide?
N-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide has a molecular weight of 263.34 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide is sourced from PubChem (CID 142403854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).