N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide

C14H15N3O2 — CID 80716840

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide
SMILESO=C(NCC1(CO)CC1)c1ccc2nccnc2c1
InChIInChI=1S/C14H15N3O2/c18-9-14(3-4-14)8-17-13(19)10-1-2-11-12(7-10)16-6-5-15-11/h1-2,5-7,18H,3-4,8-9H2,(H,17,19)
InChIKeyFPFFZEJXNCPSPA-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.13
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide (PubChem CID 80716840) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide
PubChem CID80716840
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide
SMILESO=C(NCC1(CO)CC1)c1ccc2nccnc2c1
InChIInChI=1S/C14H15N3O2/c18-9-14(3-4-14)8-17-13(19)10-1-2-11-12(7-10)16-6-5-15-11/h1-2,5-7,18H,3-4,8-9H2,(H,17,19)
InChIKeyFPFFZEJXNCPSPA-UHFFFAOYSA-N
XLogP1.13
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide (CID 80716840) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide is O=C(NCC1(CO)CC1)c1ccc2nccnc2c1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide?
The InChIKey is FPFFZEJXNCPSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-9-14(3-4-14)8-17-13(19)10-1-2-11-12(7-10)16-6-5-15-11/h1-2,5-7,18H,3-4,8-9H2,(H,17,19).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 80716840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).