N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide

C17H17N5O2 — CID 16668817

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1cnccn1)c1nccn1C
InChIInChI=1S/C17H17N5O2/c1-22-10-9-20-16(22)15(12-5-3-4-6-14(12)24-2)21-17(23)13-11-18-7-8-19-13/h3-11,15H,1-2H3,(H,21,23)
InChIKeyUHKYOLCUERXXDS-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.74
Rot. Bonds5

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide (PubChem CID 16668817) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
PubChem CID16668817
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1cnccn1)c1nccn1C
InChIInChI=1S/C17H17N5O2/c1-22-10-9-20-16(22)15(12-5-3-4-6-14(12)24-2)21-17(23)13-11-18-7-8-19-13/h3-11,15H,1-2H3,(H,21,23)
InChIKeyUHKYOLCUERXXDS-UHFFFAOYSA-N
XLogP1.74
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfinylbenzamide
CID 51269524
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923268
2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 51932949
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide
CID 51269492
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 47014744
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 25367569

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide (CID 16668817) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide is COc1ccccc1C(NC(=O)c1cnccn1)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is UHKYOLCUERXXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-22-10-9-20-16(22)15(12-5-3-4-6-14(12)24-2)21-17(23)13-11-18-7-8-19-13/h3-11,15H,1-2H3,(H,21,23).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 16668817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).