N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide

C14H14ClN3O2 — CID 110794198

IUPACN-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1c(C)cc(Cl)cc1CNC(=O)c1cnccn1
InChIInChI=1S/C14H14ClN3O2/c1-9-5-11(15)6-10(13(9)20-2)7-18-14(19)12-8-16-3-4-17-12/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyZXGOTZPXBZVAJR-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.38
Rot. Bonds4

About N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide

N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 110794198) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID110794198
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1c(C)cc(Cl)cc1CNC(=O)c1cnccn1
InChIInChI=1S/C14H14ClN3O2/c1-9-5-11(15)6-10(13(9)20-2)7-18-14(19)12-8-16-3-4-17-12/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyZXGOTZPXBZVAJR-UHFFFAOYSA-N
XLogP2.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyridine-3-carboxamide
CID 110782938
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-3-hydroxypropanamide
CID 115139037
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide
CID 110795702
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
CID 110782924
N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 110482106
N-[(3,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 24746893
N-[(2,5-dimethylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 56765538
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794826
1-[(5-chloro-2-methoxy-3-methylphenyl)methylamino]propan-2-one
CID 115234732
6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid
CID 71077568
2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
CID 115168519
2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110769441

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide (CID 110794198) is N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide is COc1c(C)cc(Cl)cc1CNC(=O)c1cnccn1.
What is the InChIKey of N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is ZXGOTZPXBZVAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-9-5-11(15)6-10(13(9)20-2)7-18-14(19)12-8-16-3-4-17-12/h3-6,8H,7H2,1-2H3,(H,18,19).
What are the key properties of N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide?
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110794198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).