1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide

C11H17ClN6O — CID 80904855

IUPAC1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nc(NN)ncc1Cl
InChIInChI=1S/C11H17ClN6O/c1-14-10(19)8-4-2-3-5-18(8)9-7(12)6-15-11(16-9)17-13/h6,8H,2-5,13H2,1H3,(H,14,19)(H,15,16,17)
InChIKeyQMPLZSSLFVHIGY-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.52
Rot. Bonds3

About 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide

1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide (PubChem CID 80904855) has the molecular formula C11H17ClN6O and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
PubChem CID80904855
Molecular FormulaC11H17ClN6O
Molecular Weight284.75 g/mol
Exact Mass284.12
IUPAC Name1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nc(NN)ncc1Cl
InChIInChI=1S/C11H17ClN6O/c1-14-10(19)8-4-2-3-5-18(8)9-7(12)6-15-11(16-9)17-13/h6,8H,2-5,13H2,1H3,(H,14,19)(H,15,16,17)
InChIKeyQMPLZSSLFVHIGY-UHFFFAOYSA-N
XLogP0.52
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 79632083
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80784866
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80905623
1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80806767
1-[1-(5-chloro-2-hydrazinylpyrimidin-4-yl)azepan-2-yl]propan-2-ol
CID 112748846
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 103583254
1-(2-hydrazinylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80904751
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765390
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 103583251
1-(5-amino-3-bromo-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 79532299
[4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine
CID 80932155
1-(5-aminopyrazin-2-yl)-N-methylpiperidine-2-carboxamide
CID 80653622

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide (CID 80904855) is 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1nc(NN)ncc1Cl.
What is the InChIKey of 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The InChIKey is QMPLZSSLFVHIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN6O/c1-14-10(19)8-4-2-3-5-18(8)9-7(12)6-15-11(16-9)17-13/h6,8H,2-5,13H2,1H3,(H,14,19)(H,15,16,17).
What are the key properties of 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 80904855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).