2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid

C16H15N3O5 — CID 138044383

IUPAC2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid
SMILESCn1c(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cccc1=O
InChIInChI=1S/C16H15N3O5/c1-19-12(3-2-4-13(19)20)16(24)18-11-7-5-10(6-8-11)15(23)17-9-14(21)22/h2-8H,9H2,1H3,(H,17,23)(H,18,24)(H,21,22)
InChIKeyWSRZWGJHPARCLL-UHFFFAOYSA-N
MW329.31 g/mol
LogP0.45
Rot. Bonds5

About 2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid

2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid (PubChem CID 138044383) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid
PubChem CID138044383
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid
SMILESCn1c(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cccc1=O
InChIInChI=1S/C16H15N3O5/c1-19-12(3-2-4-13(19)20)16(24)18-11-7-5-10(6-8-11)15(23)17-9-14(21)22/h2-8H,9H2,1H3,(H,17,23)(H,18,24)(H,21,22)
InChIKeyWSRZWGJHPARCLL-UHFFFAOYSA-N
XLogP0.45
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid (CID 138044383) is 2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid is Cn1c(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cccc1=O.
What is the InChIKey of 2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid?
The InChIKey is WSRZWGJHPARCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-19-12(3-2-4-13(19)20)16(24)18-11-7-5-10(6-8-11)15(23)17-9-14(21)22/h2-8H,9H2,1H3,(H,17,23)(H,18,24)(H,21,22).
What are the key properties of 2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid?
2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid has a molecular weight of 329.31 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 138044383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).