N-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide

C14H15N3O2 — CID 2531496

IUPACN-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C14H15N3O2/c1-10-7-16-13(9-15-10)14(18)17-8-11-3-5-12(19-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyNZYMCXRRAARJMA-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.72
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide

N-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 2531496) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide
PubChem CID2531496
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C14H15N3O2/c1-10-7-16-13(9-15-10)14(18)17-8-11-3-5-12(19-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyNZYMCXRRAARJMA-UHFFFAOYSA-N
XLogP1.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide (CID 2531496) is N-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide is COc1ccc(CNC(=O)c2cnc(C)cn2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is NZYMCXRRAARJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-7-16-13(9-15-10)14(18)17-8-11-3-5-12(19-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 2531496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).