[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone

C18H23N5O2 — CID 87053020

IUPAC[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCCCOc1nccnc1NC1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C18H23N5O2/c1-2-13-25-17-16(20-9-10-21-17)22-14-6-11-23(12-7-14)18(24)15-5-3-4-8-19-15/h3-5,8-10,14H,2,6-7,11-13H2,1H3,(H,20,22)
InChIKeyAJTHSGRQPWHPJU-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.38
Rot. Bonds6

About [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone

[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 87053020) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID87053020
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCCCOc1nccnc1NC1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C18H23N5O2/c1-2-13-25-17-16(20-9-10-21-17)22-14-6-11-23(12-7-14)18(24)15-5-3-4-8-19-15/h3-5,8-10,14H,2,6-7,11-13H2,1H3,(H,20,22)
InChIKeyAJTHSGRQPWHPJU-UHFFFAOYSA-N
XLogP2.38
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone (CID 87053020) is [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone is CCCOc1nccnc1NC1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is AJTHSGRQPWHPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-13-25-17-16(20-9-10-21-17)22-14-6-11-23(12-7-14)18(24)15-5-3-4-8-19-15/h3-5,8-10,14H,2,6-7,11-13H2,1H3,(H,20,22).
What are the key properties of [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone?
[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 341.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 87053020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).