3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide

C17H19ClN4O3 — CID 99823794

IUPAC3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1
InChIInChI=1S/C17H19ClN4O3/c18-11-4-5-14(25-10-12-3-1-2-8-24-12)13(9-11)22-17(23)15-16(19)21-7-6-20-15/h4-7,9,12H,1-3,8,10H2,(H2,19,21)(H,22,23)/t12-/m1/s1
InChIKeyMRIIBMHGJWAEQZ-GFCCVEGCSA-N
MW362.82 g/mol
LogP2.91
Rot. Bonds5

About 3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide

3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide (PubChem CID 99823794) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is 3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
PubChem CID99823794
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1
InChIInChI=1S/C17H19ClN4O3/c18-11-4-5-14(25-10-12-3-1-2-8-24-12)13(9-11)22-17(23)15-16(19)21-7-6-20-15/h4-7,9,12H,1-3,8,10H2,(H2,19,21)(H,22,23)/t12-/m1/s1
InChIKeyMRIIBMHGJWAEQZ-GFCCVEGCSA-N
XLogP2.91
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[5-chloro-2-[[(2R)-oxan-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

6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide
CID 102561239
N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide
CID 94645848
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
1-[5-chloro-2-[[(2S)-oxan-2-yl]methoxy]phenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 59158566
2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807
1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 30831505
4-[5-chloro-2-(oxan-2-ylmethoxy)anilino]cyclohexane-1-carboxylic acid
CID 122033171
ethyl 4-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]-4-oxobutanoate
CID 52505583
3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119743204
3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120609593
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 60576266

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide (CID 99823794) is 3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1.
What is the InChIKey of 3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide?
The InChIKey is MRIIBMHGJWAEQZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c18-11-4-5-14(25-10-12-3-1-2-8-24-12)13(9-11)22-17(23)15-16(19)21-7-6-20-15/h4-7,9,12H,1-3,8,10H2,(H2,19,21)(H,22,23)/t12-/m1/s1.
What are the key properties of 3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide?
3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 99823794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).