N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride

C17H21ClN4O — CID 110756617

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
SMILESCN1CCN(c2ccc(NC(=O)c3ccncc3)cc2)CC1.Cl
InChIInChI=1S/C17H20N4O.ClH/c1-20-10-12-21(13-11-20)16-4-2-15(3-5-16)19-17(22)14-6-8-18-9-7-14;/h2-9H,10-13H2,1H3,(H,19,22);1H
InChIKeySSSWUNPMATXSLQ-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.51
Rot. Bonds3

About N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride

N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 110756617) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
PubChem CID110756617
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
SMILESCN1CCN(c2ccc(NC(=O)c3ccncc3)cc2)CC1.Cl
InChIInChI=1S/C17H20N4O.ClH/c1-20-10-12-21(13-11-20)16-4-2-15(3-5-16)19-17(22)14-6-8-18-9-7-14;/h2-9H,10-13H2,1H3,(H,19,22);1H
InChIKeySSSWUNPMATXSLQ-UHFFFAOYSA-N
XLogP2.51
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 112502757
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide;trihydrochloride
CID 129012193
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
3,4-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 113199321
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 110706378
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide
CID 110693106
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999704
2-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109265024
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 55788275
3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 952383

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride (CID 110756617) is N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride is CN1CCN(c2ccc(NC(=O)c3ccncc3)cc2)CC1.Cl.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is SSSWUNPMATXSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O.ClH/c1-20-10-12-21(13-11-20)16-4-2-15(3-5-16)19-17(22)14-6-8-18-9-7-14;/h2-9H,10-13H2,1H3,(H,19,22);1H.
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride?
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 332.84 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110756617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).