3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid

C14H16N4O3 — CID 62966283

IUPAC3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C14H16N4O3/c1-10(9-13(20)21)8-12(19)17-11-4-2-5-15-14(11)18-7-3-6-16-18/h2-7,10H,8-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyDQUHRRFUFQSIBC-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.71
Rot. Bonds6

About 3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid

3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid (PubChem CID 62966283) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
PubChem CID62966283
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C14H16N4O3/c1-10(9-13(20)21)8-12(19)17-11-4-2-5-15-14(11)18-7-3-6-16-18/h2-7,10H,8-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyDQUHRRFUFQSIBC-UHFFFAOYSA-N
XLogP1.71
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 82011031
4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 81087312
2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 38749928
5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 107909063
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 61180497
2-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714222
7-amino-N-(2-pyrazol-1-yl-3-pyridinyl)heptanamide
CID 43714218
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 61180684
4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 64889290
2-(cyclopropylamino)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60842702
2-amino-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714225
2-phenoxy-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 43063138

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid (CID 62966283) is 3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid is CC(CC(=O)O)CC(=O)Nc1cccnc1-n1cccn1.
What is the InChIKey of 3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid?
The InChIKey is DQUHRRFUFQSIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10(9-13(20)21)8-12(19)17-11-4-2-5-15-14(11)18-7-3-6-16-18/h2-7,10H,8-9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid?
3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid has a molecular weight of 288.31 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid is sourced from PubChem (CID 62966283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).