methyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate

C16H23N5O4 — CID 59464211

IUPACmethyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate
SMILESCOC(=O)CC1(C)CCN(c2ccc(NC(=O)C(=O)NN)cn2)CC1
InChIInChI=1S/C16H23N5O4/c1-16(9-13(22)25-2)5-7-21(8-6-16)12-4-3-11(10-18-12)19-14(23)15(24)20-17/h3-4,10H,5-9,17H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyPNKCZRHZPPBIDH-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.18
Rot. Bonds4

About methyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate

methyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate (PubChem CID 59464211) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is methyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate
PubChem CID59464211
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Namemethyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate
SMILESCOC(=O)CC1(C)CCN(c2ccc(NC(=O)C(=O)NN)cn2)CC1
InChIInChI=1S/C16H23N5O4/c1-16(9-13(22)25-2)5-7-21(8-6-16)12-4-3-11(10-18-12)19-14(23)15(24)20-17/h3-4,10H,5-9,17H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyPNKCZRHZPPBIDH-UHFFFAOYSA-N
XLogP0.18
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
methyl 2-[3-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]spiro[5.5]undecan-9-yl]acetate
CID 118275490
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
2-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 39181827
2-(3,3-dimethylpiperidin-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 136525298
methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate
CID 139530958
methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate
CID 67087473
2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 111536468
4-(methoxymethyl)-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120640895
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113014078
1-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)cyclobutane-1-carboxamide
CID 115447710

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate (CID 59464211) is methyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate is COC(=O)CC1(C)CCN(c2ccc(NC(=O)C(=O)NN)cn2)CC1.
What is the InChIKey of methyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate?
The InChIKey is PNKCZRHZPPBIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-16(9-13(22)25-2)5-7-21(8-6-16)12-4-3-11(10-18-12)19-14(23)15(24)20-17/h3-4,10H,5-9,17H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of methyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate?
methyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate has a molecular weight of 349.39 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]-4-methylpiperidin-4-yl]acetate is sourced from PubChem (CID 59464211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).