2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid

C15H21N5O4 — CID 68684464

IUPAC2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid
SMILESCc1cc(NC(=O)C(=O)NN)cnc1N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H21N5O4/c1-9-6-11(18-14(23)15(24)19-16)8-17-13(9)20-4-2-10(3-5-20)7-12(21)22/h6,8,10H,2-5,7,16H2,1H3,(H,18,23)(H,19,24)(H,21,22)
InChIKeyAUGKXZKKFGYXFS-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.01
Rot. Bonds4

About 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid

2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid (PubChem CID 68684464) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid
PubChem CID68684464
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid
SMILESCc1cc(NC(=O)C(=O)NN)cnc1N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H21N5O4/c1-9-6-11(18-14(23)15(24)19-16)8-17-13(9)20-4-2-10(3-5-20)7-12(21)22/h6,8,10H,2-5,7,16H2,1H3,(H,18,23)(H,19,24)(H,21,22)
InChIKeyAUGKXZKKFGYXFS-UHFFFAOYSA-N
XLogP0.01
TPSA137.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid
CID 68682101
2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 62475541
methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 141147647
2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80806378
2-methyl-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)oxolane-3-carboxamide
CID 75501504
2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid
CID 166472355
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 66509632
[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-4-yl]methanol
CID 80629576
[1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate
CID 154673240
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methylpyridin-3-amine
CID 62477598
[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 80757639
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclohexylacetamide
CID 103730501

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid (CID 68684464) is 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid is Cc1cc(NC(=O)C(=O)NN)cnc1N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid?
The InChIKey is AUGKXZKKFGYXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4/c1-9-6-11(18-14(23)15(24)19-16)8-17-13(9)20-4-2-10(3-5-20)7-12(21)22/h6,8,10H,2-5,7,16H2,1H3,(H,18,23)(H,19,24)(H,21,22).
What are the key properties of 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid?
2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid has a molecular weight of 335.36 g/mol, XLogP of 0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 68684464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).