N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride

C19H27Cl2N5O — CID 119549443

IUPACN-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
SMILESCN1CCN(c2cc(C(=O)NCCc3ccc(N)cc3)ccn2)CC1.Cl.Cl
InChIInChI=1S/C19H25N5O.2ClH/c1-23-10-12-24(13-11-23)18-14-16(7-9-21-18)19(25)22-8-6-15-2-4-17(20)5-3-15;;/h2-5,7,9,14H,6,8,10-13,20H2,1H3,(H,22,25);2*1H
InChIKeyWMRASBOGWCANTR-UHFFFAOYSA-N
MW412.37 g/mol
LogP2.23
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride

N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride (PubChem CID 119549443) has the molecular formula C19H27Cl2N5O and a molecular weight of 412.37 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
PubChem CID119549443
Molecular FormulaC19H27Cl2N5O
Molecular Weight412.37 g/mol
Exact Mass411.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
SMILESCN1CCN(c2cc(C(=O)NCCc3ccc(N)cc3)ccn2)CC1.Cl.Cl
InChIInChI=1S/C19H25N5O.2ClH/c1-23-10-12-24(13-11-23)18-14-16(7-9-21-18)19(25)22-8-6-15-2-4-17(20)5-3-15;;/h2-5,7,9,14H,6,8,10-13,20H2,1H3,(H,22,25);2*1H
InChIKeyWMRASBOGWCANTR-UHFFFAOYSA-N
XLogP2.23
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 46981532
N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 117091113
N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 97212701
N-[2-(4-aminophenyl)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119548776
N-(1-amino-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119524654
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119516349
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889269
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 111485980
2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172612

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride (CID 119549443) is N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride is CN1CCN(c2cc(C(=O)NCCc3ccc(N)cc3)ccn2)CC1.Cl.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride?
The InChIKey is WMRASBOGWCANTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O.2ClH/c1-23-10-12-24(13-11-23)18-14-16(7-9-21-18)19(25)22-8-6-15-2-4-17(20)5-3-15;;/h2-5,7,9,14H,6,8,10-13,20H2,1H3,(H,22,25);2*1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride?
N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride has a molecular weight of 412.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119549443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).