4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride

C23H34ClN5O — CID 22371006

IUPAC4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride
SMILESCCCNc1nccc(N2CCN(c3ccccc3CC)CC2)c1C(=O)N(C)C.Cl
InChIInChI=1S/C23H33N5O.ClH/c1-5-12-24-22-21(23(29)26(3)4)20(11-13-25-22)28-16-14-27(15-17-28)19-10-8-7-9-18(19)6-2;/h7-11,13H,5-6,12,14-17H2,1-4H3,(H,24,25);1H
InChIKeyPASVZHKSGRBFLF-UHFFFAOYSA-N
MW432.01 g/mol
LogP3.92
Rot. Bonds7

About 4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride

4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride (PubChem CID 22371006) has the molecular formula C23H34ClN5O and a molecular weight of 432.01 g/mol. Its IUPAC name is 4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride
PubChem CID22371006
Molecular FormulaC23H34ClN5O
Molecular Weight432.01 g/mol
Exact Mass431.25
IUPAC Name4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride
SMILESCCCNc1nccc(N2CCN(c3ccccc3CC)CC2)c1C(=O)N(C)C.Cl
InChIInChI=1S/C23H33N5O.ClH/c1-5-12-24-22-21(23(29)26(3)4)20(11-13-25-22)28-16-14-27(15-17-28)19-10-8-7-9-18(19)6-2;/h7-11,13H,5-6,12,14-17H2,1-4H3,(H,24,25);1H
InChIKeyPASVZHKSGRBFLF-UHFFFAOYSA-N
XLogP3.92
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.01
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride (CID 22371006) is 4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride is CCCNc1nccc(N2CCN(c3ccccc3CC)CC2)c1C(=O)N(C)C.Cl.
What is the InChIKey of 4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride?
The InChIKey is PASVZHKSGRBFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O.ClH/c1-5-12-24-22-21(23(29)26(3)4)20(11-13-25-22)28-16-14-27(15-17-28)19-10-8-7-9-18(19)6-2;/h7-11,13H,5-6,12,14-17H2,1-4H3,(H,24,25);1H.
What are the key properties of 4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride?
4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride has a molecular weight of 432.01 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 22371006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).