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

C14H16N4O4 — CID 167878130

IUPAC2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC(C)c1cc(C(=O)Nc2ccn(CC(=O)O)n2)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O4/c1-8(2)10-5-9(6-12(19)15-10)14(22)16-11-3-4-18(17-11)7-13(20)21/h3-6,8H,7H2,1-2H3,(H,15,19)(H,20,21)(H,16,17,22)
InChIKeyQESNAQCLFQHVSV-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.03
Rot. Bonds5

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

2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 167878130) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID167878130
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC(C)c1cc(C(=O)Nc2ccn(CC(=O)O)n2)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O4/c1-8(2)10-5-9(6-12(19)15-10)14(22)16-11-3-4-18(17-11)7-13(20)21/h3-6,8H,7H2,1-2H3,(H,15,19)(H,20,21)(H,16,17,22)
InChIKeyQESNAQCLFQHVSV-UHFFFAOYSA-N
XLogP1.03
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid
CID 119230555
2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 120524695
2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid
CID 99599206
2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 119231069
2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 120687319
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[3-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119231121
2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 119230457
2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 120524741
2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230516
2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230469
2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119231148

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 167878130) is 2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid is CC(C)c1cc(C(=O)Nc2ccn(CC(=O)O)n2)cc(=O)[nH]1.
What is the InChIKey of 2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is QESNAQCLFQHVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-8(2)10-5-9(6-12(19)15-10)14(22)16-11-3-4-18(17-11)7-13(20)21/h3-6,8H,7H2,1-2H3,(H,15,19)(H,20,21)(H,16,17,22).
What are the key properties of 2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 304.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 167878130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).