4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride

C10H14Cl2N4O — CID 110177271

IUPAC4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride
SMILESNC(=O)N1CC[NH+](c2cccc(Cl)n2)CC1.[Cl-]
InChIInChI=1S/C10H13ClN4O.ClH/c11-8-2-1-3-9(13-8)14-4-6-15(7-5-14)10(12)16;/h1-3H,4-7H2,(H2,12,16);1H
InChIKeyIZSNSZOOLVPXRO-UHFFFAOYSA-N
MW277.15 g/mol
LogP-3.35
Rot. Bonds1

About 4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride

4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride (PubChem CID 110177271) has the molecular formula C10H14Cl2N4O and a molecular weight of 277.15 g/mol. Its IUPAC name is 4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride.

Molecular Properties

Compound Name4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride
PubChem CID110177271
Molecular FormulaC10H14Cl2N4O
Molecular Weight277.15 g/mol
Exact Mass276.05
IUPAC Name4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride
SMILESNC(=O)N1CC[NH+](c2cccc(Cl)n2)CC1.[Cl-]
InChIInChI=1S/C10H13ClN4O.ClH/c11-8-2-1-3-9(13-8)14-4-6-15(7-5-14)10(12)16;/h1-3H,4-7H2,(H2,12,16);1H
InChIKeyIZSNSZOOLVPXRO-UHFFFAOYSA-N
XLogP-3.35
TPSA63.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 5-3.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(6-chloro-2-pyridinyl)oxy]propyl]-N,N-diethylpiperazin-4-ium-1-carboxamide chloride
CID 110176443
4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid
CID 87152500
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 134100572
bis(2,6-dichloropyridine);palladium(2+);chloride
CID 71744970
6-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide
CID 68841111
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
1-(6-chloro-2-pyridinyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-4-ium chloride
CID 110185953
bis(6-chloro-2-pyridinyl)methanone
CID 102384352
pyrazine;pyrrolidine-1-carboxamide
CID 68904578
1-(6-chloropyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 55052299
(6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63656995
1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone
CID 60526232

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride?
The IUPAC name of 4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride (CID 110177271) is 4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride.
What is the SMILES notation for 4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride?
The canonical SMILES for 4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride is NC(=O)N1CC[NH+](c2cccc(Cl)n2)CC1.[Cl-].
What is the InChIKey of 4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride?
The InChIKey is IZSNSZOOLVPXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O.ClH/c11-8-2-1-3-9(13-8)14-4-6-15(7-5-14)10(12)16;/h1-3H,4-7H2,(H2,12,16);1H.
What are the key properties of 4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride?
4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride has a molecular weight of 277.15 g/mol, XLogP of -3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-pyridinyl)piperazin-4-ium-1-carboxamide chloride is sourced from PubChem (CID 110177271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).