N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide

C15H16ClN3O2 — CID 96568600

IUPACN-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide
SMILESCO[C@@H](CNC(=O)c1cnc(C)cn1)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O2/c1-10-7-18-13(8-17-10)15(20)19-9-14(21-2)11-4-3-5-12(16)6-11/h3-8,14H,9H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyIIMJGJZZOJDFKZ-AWEZNQCLSA-N
MW305.77 g/mol
LogP2.56
Rot. Bonds5

About N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide

N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide (PubChem CID 96568600) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide
PubChem CID96568600
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC NameN-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide
SMILESCO[C@@H](CNC(=O)c1cnc(C)cn1)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O2/c1-10-7-18-13(8-17-10)15(20)19-9-14(21-2)11-4-3-5-12(16)6-11/h3-8,14H,9H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyIIMJGJZZOJDFKZ-AWEZNQCLSA-N
XLogP2.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-hydroxypyridine-4-carboxamide
CID 97320910
N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide
CID 124607627
2-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 96568623
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide
CID 134068515
(2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylpropanamide
CID 96517717
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide
CID 47161938
3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea
CID 95969088
trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide
CID 172583738
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 42959845
1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 96566001

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide (CID 96568600) is N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide is CO[C@@H](CNC(=O)c1cnc(C)cn1)c1cccc(Cl)c1.
What is the InChIKey of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is IIMJGJZZOJDFKZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-10-7-18-13(8-17-10)15(20)19-9-14(21-2)11-4-3-5-12(16)6-11/h3-8,14H,9H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide?
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 96568600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).