2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid

C21H16N4O3 — CID 169214028

IUPAC2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(Nc2ncc(-c3cccnc3)c3ccccc23)ccc1=O
InChIInChI=1S/C21H16N4O3/c26-19-8-7-15(12-25(19)13-20(27)28)24-21-17-6-2-1-5-16(17)18(11-23-21)14-4-3-9-22-10-14/h1-12H,13H2,(H,23,24)(H,27,28)
InChIKeyFDIBOMKSFVQFLO-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.29
Rot. Bonds5

About 2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid

2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid (PubChem CID 169214028) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid
PubChem CID169214028
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(Nc2ncc(-c3cccnc3)c3ccccc23)ccc1=O
InChIInChI=1S/C21H16N4O3/c26-19-8-7-15(12-25(19)13-20(27)28)24-21-17-6-2-1-5-16(17)18(11-23-21)14-4-3-9-22-10-14/h1-12H,13H2,(H,23,24)(H,27,28)
InChIKeyFDIBOMKSFVQFLO-UHFFFAOYSA-N
XLogP3.29
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-oxo-5-(5-pyridin-3-ylisoquinolin-1-yl)oxy-1-pyridinyl]acetic acid
CID 169213701
2-[2-oxo-5-[[3-(8-undecylisoquinolin-4-yl)benzoyl]amino]-1-pyridinyl]acetic acid
CID 169213685
2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
CID 169213851
2-[3-[(pyridin-3-ylmethylamino)methyl]indol-1-yl]acetic acid
CID 102535946
2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 121214144
N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 71033847
2-(3-pyridin-3-yl-1,2,4-triazol-1-yl)acetic acid
CID 82282721
2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid
CID 130299911
1-phenyl-5-pyridin-3-ylpyridin-2-one
CID 58016476
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide
CID 121052449
2-[5-[[2-(3-methoxyphenoxy)acetyl]amino]-2-oxo-1-pyridinyl]acetic acid
CID 169214430
2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82117838

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid (CID 169214028) is 2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid is O=C(O)Cn1cc(Nc2ncc(-c3cccnc3)c3ccccc23)ccc1=O.
What is the InChIKey of 2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid?
The InChIKey is FDIBOMKSFVQFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-19-8-7-15(12-25(19)13-20(27)28)24-21-17-6-2-1-5-16(17)18(11-23-21)14-4-3-9-22-10-14/h1-12H,13H2,(H,23,24)(H,27,28).
What are the key properties of 2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid?
2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid has a molecular weight of 372.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-[(4-pyridin-3-ylisoquinolin-1-yl)amino]-1-pyridinyl]acetic acid is sourced from PubChem (CID 169214028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).