2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid

C13H14N4O4 — CID 61017722

IUPAC2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCc1cc(C)c(C(=O)Nc2cnn(CC(=O)O)c2)c(=O)[nH]1
InChIInChI=1S/C13H14N4O4/c1-7-3-8(2)15-12(20)11(7)13(21)16-9-4-14-17(5-9)6-10(18)19/h3-5H,6H2,1-2H3,(H,15,20)(H,16,21)(H,18,19)
InChIKeyZEYMEDYNRSKLBF-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.53
Rot. Bonds4

About 2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 61017722) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID61017722
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCc1cc(C)c(C(=O)Nc2cnn(CC(=O)O)c2)c(=O)[nH]1
InChIInChI=1S/C13H14N4O4/c1-7-3-8(2)15-12(20)11(7)13(21)16-9-4-14-17(5-9)6-10(18)19/h3-5H,6H2,1-2H3,(H,15,20)(H,16,21)(H,18,19)
InChIKeyZEYMEDYNRSKLBF-UHFFFAOYSA-N
XLogP0.53
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 138002030
2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61019164
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 61019180
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107586035
2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 61018085
N-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95916438
2-[4-[(4-methylsulfanylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 61017597
2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 138002036
N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 167792286
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 61017722) is 2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid is Cc1cc(C)c(C(=O)Nc2cnn(CC(=O)O)c2)c(=O)[nH]1.
What is the InChIKey of 2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is ZEYMEDYNRSKLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-7-3-8(2)15-12(20)11(7)13(21)16-9-4-14-17(5-9)6-10(18)19/h3-5H,6H2,1-2H3,(H,15,20)(H,16,21)(H,18,19).
What are the key properties of 2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 290.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61017722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).