2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid

C19H18N4O5 — CID 118177065

IUPAC2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(-c3cccnc3)cn2)C1=O
InChIInChI=1S/C19H18N4O5/c24-15-5-7-23(19(28)17(15)18(27)22-10-16(25)26)11-14-4-3-13(9-21-14)12-2-1-6-20-8-12/h1-4,6,8-9,24H,5,7,10-11H2,(H,22,27)(H,25,26)
InChIKeyNMEIDVAQLSLPMR-UHFFFAOYSA-N
MW382.38 g/mol
LogP0.89
Rot. Bonds6

About 2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid

2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (PubChem CID 118177065) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
PubChem CID118177065
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(-c3cccnc3)cn2)C1=O
InChIInChI=1S/C19H18N4O5/c24-15-5-7-23(19(28)17(15)18(27)22-10-16(25)26)11-14-4-3-13(9-21-14)12-2-1-6-20-8-12/h1-4,6,8-9,24H,5,7,10-11H2,(H,22,27)(H,25,26)
InChIKeyNMEIDVAQLSLPMR-UHFFFAOYSA-N
XLogP0.89
TPSA132.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[4-hydroxy-1-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118113152
2-[[4-hydroxy-6-oxo-1-[[4-(4-phenylphenyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177165
2-[[4-hydroxy-6-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177100
CID 118113236
CID 118113236
2-[[4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176811
2-[[4-hydroxy-1-[[6-(3-methoxyphenyl)-3-pyridinyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177202
2-[[4-hydroxy-6-oxo-1-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73052861
2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176815
4-[[5-(carboxymethylcarbamoyl)-4-hydroxy-6-oxo-2,3-dihydropyridin-1-yl]methyl]benzoic acid
CID 118177074
2-[[1-[[4-(carboxymethoxy)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177078
2-[[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176904
2-[[4-hydroxy-6-oxo-1-[[4-(2-pyridin-2-ylethylcarbamoyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177558

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (CID 118177065) is 2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(-c3cccnc3)cn2)C1=O.
What is the InChIKey of 2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The InChIKey is NMEIDVAQLSLPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c24-15-5-7-23(19(28)17(15)18(27)22-10-16(25)26)11-14-4-3-13(9-21-14)12-2-1-6-20-8-12/h1-4,6,8-9,24H,5,7,10-11H2,(H,22,27)(H,25,26).
What are the key properties of 2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid has a molecular weight of 382.38 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-6-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 118177065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).