N-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride

C17H28Cl2N6 — CID 166485567

IUPACN-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride
SMILESC=C.Cl.[H]/N=C(\N=C(/C)CCCN)c1cnc(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C15H23ClN6.C2H4.ClH/c1-11(3-2-4-17)21-14(18)12-9-13(16)15(20-10-12)22-7-5-19-6-8-22;1-2;/h9-10,18-19H,2-8,17H2,1H3;1-2H2;1H/b18-14-,21-11+;;
InChIKeySNYIDLTZZUHFQC-VWELFVBJSA-N
MW387.36 g/mol
LogP2.89
Rot. Bonds5

About N-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride

N-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride (PubChem CID 166485567) has the molecular formula C17H28Cl2N6 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride.

Molecular Properties

Compound NameN-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride
PubChem CID166485567
Molecular FormulaC17H28Cl2N6
Molecular Weight387.36 g/mol
Exact Mass386.18
IUPAC NameN-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride
SMILESC=C.Cl.[H]/N=C(\N=C(/C)CCCN)c1cnc(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C15H23ClN6.C2H4.ClH/c1-11(3-2-4-17)21-14(18)12-9-13(16)15(20-10-12)22-7-5-19-6-8-22;1-2;/h9-10,18-19H,2-8,17H2,1H3;1-2H2;1H/b18-14-,21-11+;;
InChIKeySNYIDLTZZUHFQC-VWELFVBJSA-N
XLogP2.89
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride
CID 166485485
(4-chlorophenyl)methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate
CID 166485246
4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol
CID 123879386
1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine
CID 155272505
5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 141318308
1-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 103607077
2-[4-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)ethynyl]phenyl]-N-methylethanamine;ethene
CID 166485598
ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride
CID 68842869
5-chloro-2-ethanimidoyl-3-piperazin-1-ylaniline
CID 121326241
N'-(3-chloro-2-piperazin-1-ylquinolin-6-yl)butane-1,4-diamine
CID 166485360
5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133499734
ethyl 5-chloro-6-[4-[(E)-1-phenylethylidenecarbamoyl]piperazin-1-yl]pyridine-3-carboxylate
CID 91898709

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride?
The IUPAC name of N-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride (CID 166485567) is N-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride.
What is the SMILES notation for N-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride?
The canonical SMILES for N-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride is C=C.Cl.[H]/N=C(\N=C(/C)CCCN)c1cnc(N2CCNCC2)c(Cl)c1.
What is the InChIKey of N-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride?
The InChIKey is SNYIDLTZZUHFQC-VWELFVBJSA-N. The full InChI is InChI=1S/C15H23ClN6.C2H4.ClH/c1-11(3-2-4-17)21-14(18)12-9-13(16)15(20-10-12)22-7-5-19-6-8-22;1-2;/h9-10,18-19H,2-8,17H2,1H3;1-2H2;1H/b18-14-,21-11+;;.
What are the key properties of N-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride?
N-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride has a molecular weight of 387.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentan-2-ylidene)-5-chloro-6-piperazin-1-ylpyridine-3-carboximidamide;ethene;hydrochloride is sourced from PubChem (CID 166485567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).