[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C17H23N5O2 — CID 87052999

IUPAC[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCCOc1nccnc1NC1CCN(C(=O)c2cccn2C)CC1
InChIInChI=1S/C17H23N5O2/c1-3-24-16-15(18-8-9-19-16)20-13-6-11-22(12-7-13)17(23)14-5-4-10-21(14)2/h4-5,8-10,13H,3,6-7,11-12H2,1-2H3,(H,18,20)
InChIKeyXRHSOKFCZMASFO-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.93
Rot. Bonds5

About [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 87052999) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID87052999
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCCOc1nccnc1NC1CCN(C(=O)c2cccn2C)CC1
InChIInChI=1S/C17H23N5O2/c1-3-24-16-15(18-8-9-19-16)20-13-6-11-22(12-7-13)17(23)14-5-4-10-21(14)2/h4-5,8-10,13H,3,6-7,11-12H2,1-2H3,(H,18,20)
InChIKeyXRHSOKFCZMASFO-UHFFFAOYSA-N
XLogP1.93
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 87052999) is [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is CCOc1nccnc1NC1CCN(C(=O)c2cccn2C)CC1.
What is the InChIKey of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is XRHSOKFCZMASFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-24-16-15(18-8-9-19-16)20-13-6-11-22(12-7-13)17(23)14-5-4-10-21(14)2/h4-5,8-10,13H,3,6-7,11-12H2,1-2H3,(H,18,20).
What are the key properties of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 87052999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).