2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid

C16H17N3O5 — CID 167863491

IUPAC2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid
SMILESCOc1ccc2c(c1)OCC(Nc1nccn(CC(=O)O)c1=O)C2
InChIInChI=1S/C16H17N3O5/c1-23-12-3-2-10-6-11(9-24-13(10)7-12)18-15-16(22)19(5-4-17-15)8-14(20)21/h2-5,7,11H,6,8-9H2,1H3,(H,17,18)(H,20,21)
InChIKeyYZBVONXHVSRSEI-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.75
Rot. Bonds5

About 2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid

2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid (PubChem CID 167863491) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid
PubChem CID167863491
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid
SMILESCOc1ccc2c(c1)OCC(Nc1nccn(CC(=O)O)c1=O)C2
InChIInChI=1S/C16H17N3O5/c1-23-12-3-2-10-6-11(9-24-13(10)7-12)18-15-16(22)19(5-4-17-15)8-14(20)21/h2-5,7,11H,6,8-9H2,1H3,(H,17,18)(H,20,21)
InChIKeyYZBVONXHVSRSEI-UHFFFAOYSA-N
XLogP0.75
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[(5-chloro-2-pyridinyl)methyl]-3-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
CID 125136934
(3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95152442
(3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine
CID 97342077
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide
CID 72849732
[4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 97271263
4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 74240064
[4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone
CID 97277342
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridin-4-ylpropanamide
CID 97275705
(3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99103194
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
CID 97142134
1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 138996886

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid (CID 167863491) is 2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid is COc1ccc2c(c1)OCC(Nc1nccn(CC(=O)O)c1=O)C2.
What is the InChIKey of 2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is YZBVONXHVSRSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-23-12-3-2-10-6-11(9-24-13(10)7-12)18-15-16(22)19(5-4-17-15)8-14(20)21/h2-5,7,11H,6,8-9H2,1H3,(H,17,18)(H,20,21).
What are the key properties of 2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid?
2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 331.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 167863491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).