5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid

C16H17N3O3 — CID 122047834

IUPAC5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid
SMILESCOc1ccccc1CN(c1cnc(C(=O)O)cn1)C1CC1
InChIInChI=1S/C16H17N3O3/c1-22-14-5-3-2-4-11(14)10-19(12-6-7-12)15-9-17-13(8-18-15)16(20)21/h2-5,8-9,12H,6-7,10H2,1H3,(H,20,21)
InChIKeyNGXJJZUXYXYAEX-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.35
Rot. Bonds6

About 5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid

5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid (PubChem CID 122047834) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid
PubChem CID122047834
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid
SMILESCOc1ccccc1CN(c1cnc(C(=O)O)cn1)C1CC1
InChIInChI=1S/C16H17N3O3/c1-22-14-5-3-2-4-11(14)10-19(12-6-7-12)15-9-17-13(8-18-15)16(20)21/h2-5,8-9,12H,6-7,10H2,1H3,(H,20,21)
InChIKeyNGXJJZUXYXYAEX-UHFFFAOYSA-N
XLogP2.35
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2-methoxyphenyl)methyl-(2-methylpropyl)amino]methyl]pyrazine-2-carboxylic acid
CID 137343842
5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685825
5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 103803183
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54995705
2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 50965519
4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025051
5-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 107377812
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077
5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 91659471
1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea
CID 110901159
N-cyclopropyl-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-phenylbutanamide
CID 110024904

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid (CID 122047834) is 5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid is COc1ccccc1CN(c1cnc(C(=O)O)cn1)C1CC1.
What is the InChIKey of 5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is NGXJJZUXYXYAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-14-5-3-2-4-11(14)10-19(12-6-7-12)15-9-17-13(8-18-15)16(20)21/h2-5,8-9,12H,6-7,10H2,1H3,(H,20,21).
What are the key properties of 5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid?
5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122047834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).