4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione

C14H18N4O3 — CID 66061314

IUPAC4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1c1ccc(N)c(OCC2CC2)n1
InChIInChI=1S/C14H18N4O3/c1-8-13(20)17-12(19)6-18(8)11-5-4-10(15)14(16-11)21-7-9-2-3-9/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,17,19,20)
InChIKeySCDGLOVNVHJWIP-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.30
Rot. Bonds4

About 4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione

4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione (PubChem CID 66061314) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione
PubChem CID66061314
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1c1ccc(N)c(OCC2CC2)n1
InChIInChI=1S/C14H18N4O3/c1-8-13(20)17-12(19)6-18(8)11-5-4-10(15)14(16-11)21-7-9-2-3-9/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,17,19,20)
InChIKeySCDGLOVNVHJWIP-UHFFFAOYSA-N
XLogP0.30
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione (CID 66061314) is 4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1c1ccc(N)c(OCC2CC2)n1.
What is the InChIKey of 4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione?
The InChIKey is SCDGLOVNVHJWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8-13(20)17-12(19)6-18(8)11-5-4-10(15)14(16-11)21-7-9-2-3-9/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,17,19,20).
What are the key properties of 4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione?
4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione has a molecular weight of 290.32 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66061314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).