3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide

C16H18N4O3 — CID 30831505

IUPAC3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C16H18N4O3/c17-15-14(18-6-7-19-15)16(21)20-11-3-1-4-12(9-11)23-10-13-5-2-8-22-13/h1,3-4,6-7,9,13H,2,5,8,10H2,(H2,17,19)(H,20,21)/t13-/m0/s1
InChIKeyRQVVNOYFNXYUIM-ZDUSSCGKSA-N
MW314.35 g/mol
LogP1.87
Rot. Bonds5

About 3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide

3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide (PubChem CID 30831505) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
PubChem CID30831505
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C16H18N4O3/c17-15-14(18-6-7-19-15)16(21)20-11-3-1-4-12(9-11)23-10-13-5-2-8-22-13/h1,3-4,6-7,9,13H,2,5,8,10H2,(H2,17,19)(H,20,21)/t13-/m0/s1
InChIKeyRQVVNOYFNXYUIM-ZDUSSCGKSA-N
XLogP1.87
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]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

2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
CID 41444816
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide (CID 30831505) is 3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1.
What is the InChIKey of 3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide?
The InChIKey is RQVVNOYFNXYUIM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O3/c17-15-14(18-6-7-19-15)16(21)20-11-3-1-4-12(9-11)23-10-13-5-2-8-22-13/h1,3-4,6-7,9,13H,2,5,8,10H2,(H2,17,19)(H,20,21)/t13-/m0/s1.
What are the key properties of 3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide?
3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 30831505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).