5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid

C16H17N3O4 — CID 120685641

IUPAC5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1cc(CCNC(=O)c2cnc(C(=O)O)cn2)ccc1C
InChIInChI=1S/C16H17N3O4/c1-10-3-4-11(7-14(10)23-2)5-6-17-15(20)12-8-19-13(9-18-12)16(21)22/h3-4,7-9H,5-6H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyQOJNKFDZYBYGHI-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.46
Rot. Bonds6

About 5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid

5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685641) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685641
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1cc(CCNC(=O)c2cnc(C(=O)O)cn2)ccc1C
InChIInChI=1S/C16H17N3O4/c1-10-3-4-11(7-14(10)23-2)5-6-17-15(20)12-8-19-13(9-18-12)16(21)22/h3-4,7-9H,5-6H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyQOJNKFDZYBYGHI-UHFFFAOYSA-N
XLogP1.46
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 122053945
5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685272
5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 119185444
5-(diethylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109285735
5-[3-(3,4-dimethoxyphenyl)propylamino]pyrazine-2-carboxylic acid
CID 122053296
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278606
2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide
CID 119326320
1-(3,5-dimethyl-4-pyridinyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea
CID 138014300
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 8528927
5-[3-(3-ethoxy-4-methoxyphenyl)propylamino]pyrazine-2-carboxylic acid
CID 122053887
N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783474
6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride
CID 119998901

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid (CID 120685641) is 5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid is COc1cc(CCNC(=O)c2cnc(C(=O)O)cn2)ccc1C.
What is the InChIKey of 5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is QOJNKFDZYBYGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-10-3-4-11(7-14(10)23-2)5-6-17-15(20)12-8-19-13(9-18-12)16(21)22/h3-4,7-9H,5-6H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).