6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride

C19H23ClN4O — CID 174353853

IUPAC6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride
SMILESCN1CCN(c2ccc(C(=O)NC=Cc3ccccc3)cn2)CC1.Cl
InChIInChI=1S/C19H22N4O.ClH/c1-22-11-13-23(14-12-22)18-8-7-17(15-21-18)19(24)20-10-9-16-5-3-2-4-6-16;/h2-10,15H,11-14H2,1H3,(H,20,24);1H
InChIKeyIWJJJOIDEMCIBK-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.66
Rot. Bonds4

About 6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride

6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 174353853) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride
PubChem CID174353853
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride
SMILESCN1CCN(c2ccc(C(=O)NC=Cc3ccccc3)cn2)CC1.Cl
InChIInChI=1S/C19H22N4O.ClH/c1-22-11-13-23(14-12-22)18-8-7-17(15-21-18)19(24)20-10-9-16-5-3-2-4-6-16;/h2-10,15H,11-14H2,1H3,(H,20,24);1H
InChIKeyIWJJJOIDEMCIBK-UHFFFAOYSA-N
XLogP2.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride (CID 174353853) is 6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride is CN1CCN(c2ccc(C(=O)NC=Cc3ccccc3)cn2)CC1.Cl.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is IWJJJOIDEMCIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.ClH/c1-22-11-13-23(14-12-22)18-8-7-17(15-21-18)19(24)20-10-9-16-5-3-2-4-6-16;/h2-10,15H,11-14H2,1H3,(H,20,24);1H.
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride?
6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-(2-phenylethenyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 174353853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).