6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide

C13H18ClN3O3 — CID 103186875

IUPAC6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCOCC1CCCO1)c1cncc(Cl)n1
InChIInChI=1S/C13H18ClN3O3/c14-12-8-15-7-11(17-12)13(18)16-4-2-5-19-9-10-3-1-6-20-10/h7-8,10H,1-6,9H2,(H,16,18)
InChIKeyNQZOGONKINXCSA-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.45
Rot. Bonds7

About 6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide

6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide (PubChem CID 103186875) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide
PubChem CID103186875
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCOCC1CCCO1)c1cncc(Cl)n1
InChIInChI=1S/C13H18ClN3O3/c14-12-8-15-7-11(17-12)13(18)16-4-2-5-19-9-10-3-1-6-20-10/h7-8,10H,1-6,9H2,(H,16,18)
InChIKeyNQZOGONKINXCSA-UHFFFAOYSA-N
XLogP1.45
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 81227781
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate
CID 79345576
2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide
CID 124888880
3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103993790
1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide
CID 94179237
1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
CID 86909424
3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide
CID 97001915
1-(4-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40798942
4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 78817984
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide (CID 103186875) is 6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide is O=C(NCCCOCC1CCCO1)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide?
The InChIKey is NQZOGONKINXCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c14-12-8-15-7-11(17-12)13(18)16-4-2-5-19-9-10-3-1-6-20-10/h7-8,10H,1-6,9H2,(H,16,18).
What are the key properties of 6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide?
6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 103186875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).