2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid

C19H23N3O4 — CID 22494357

IUPAC2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(OC)c(CNC(=O)c2cnc(C)cn2)c1)C(=O)O
InChIInChI=1S/C19H23N3O4/c1-4-14(19(24)25)7-13-5-6-17(26-3)15(8-13)10-22-18(23)16-11-20-12(2)9-21-16/h5-6,8-9,11,14H,4,7,10H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyQOCWWRQOHUNOKX-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.38
Rot. Bonds8

About 2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid

2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid (PubChem CID 22494357) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid
PubChem CID22494357
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(OC)c(CNC(=O)c2cnc(C)cn2)c1)C(=O)O
InChIInChI=1S/C19H23N3O4/c1-4-14(19(24)25)7-13-5-6-17(26-3)15(8-13)10-22-18(23)16-11-20-12(2)9-21-16/h5-6,8-9,11,14H,4,7,10H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyQOCWWRQOHUNOKX-UHFFFAOYSA-N
XLogP2.38
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid with MolForge

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Related Compounds

2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid
CID 11760451
2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid
CID 142055877
2-[[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]methyl]butanoic acid
CID 20777225
(2R)-2-[[3-[[[4-(1-adamantyl)benzoyl]amino]methyl]-4-ethoxyphenyl]methyl]butanoic acid
CID 102478777
methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate
CID 17443095
N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
2-[[4-methoxy-3-[2-[2-methyl-4-(trifluoromethyl)anilino]-2-oxoethyl]phenyl]methyl]butanoic acid
CID 22494205
2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
CID 21120243
(2S)-2-[[3-[[[4-(1-adamantyl)benzoyl]amino]methyl]-4-butoxyphenyl]methyl]butanoic acid
CID 46935844
(3R)-3-(3,4-dimethoxyphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774883
2-[(3-tert-butyl-4-methoxyphenyl)methyl]butanoic acid
CID 116930605

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid?
The IUPAC name of 2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid (CID 22494357) is 2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid.
What is the SMILES notation for 2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid?
The canonical SMILES for 2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid is CCC(Cc1ccc(OC)c(CNC(=O)c2cnc(C)cn2)c1)C(=O)O.
What is the InChIKey of 2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid?
The InChIKey is QOCWWRQOHUNOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-14(19(24)25)7-13-5-6-17(26-3)15(8-13)10-22-18(23)16-11-20-12(2)9-21-16/h5-6,8-9,11,14H,4,7,10H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid?
2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid has a molecular weight of 357.41 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid is sourced from PubChem (CID 22494357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).