4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide

C13H21N5O2 — CID 87053006

IUPAC4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide
SMILESCCOc1nccnc1NC1CCN(C(=O)NC)CC1
InChIInChI=1S/C13H21N5O2/c1-3-20-12-11(15-6-7-16-12)17-10-4-8-18(9-5-10)13(19)14-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,19)(H,15,17)
InChIKeyJHOBTUKMMIRAHY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.09
Rot. Bonds4

About 4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide

4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide (PubChem CID 87053006) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide
PubChem CID87053006
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide
SMILESCCOc1nccnc1NC1CCN(C(=O)NC)CC1
InChIInChI=1S/C13H21N5O2/c1-3-20-12-11(15-6-7-16-12)17-10-4-8-18(9-5-10)13(19)14-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,19)(H,15,17)
InChIKeyJHOBTUKMMIRAHY-UHFFFAOYSA-N
XLogP1.09
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide (CID 87053006) is 4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide is CCOc1nccnc1NC1CCN(C(=O)NC)CC1.
What is the InChIKey of 4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide?
The InChIKey is JHOBTUKMMIRAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-20-12-11(15-6-7-16-12)17-10-4-8-18(9-5-10)13(19)14-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,19)(H,15,17).
What are the key properties of 4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide?
4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 87053006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).