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

C21H29ClFN5O — CID 67704361

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride
SMILESCCCNc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1C(=O)N(C)C.Cl
InChIInChI=1S/C21H28FN5O.ClH/c1-4-10-23-18-9-11-24-20(19(18)21(28)25(2)3)27-14-12-26(13-15-27)17-7-5-16(22)6-8-17;/h5-9,11H,4,10,12-15H2,1-3H3,(H,23,24);1H
InChIKeyFGYAXAOCWJCUQV-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.49
Rot. Bonds6

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride (PubChem CID 67704361) has the molecular formula C21H29ClFN5O and a molecular weight of 421.95 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride
PubChem CID67704361
Molecular FormulaC21H29ClFN5O
Molecular Weight421.95 g/mol
Exact Mass421.20
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride
SMILESCCCNc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1C(=O)N(C)C.Cl
InChIInChI=1S/C21H28FN5O.ClH/c1-4-10-23-18-9-11-24-20(19(18)21(28)25(2)3)27-14-12-26(13-15-27)17-7-5-16(22)6-8-17;/h5-9,11H,4,10,12-15H2,1-3H3,(H,23,24);1H
InChIKeyFGYAXAOCWJCUQV-UHFFFAOYSA-N
XLogP3.49
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride (CID 67704361) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride is CCCNc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1C(=O)N(C)C.Cl.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride?
The InChIKey is FGYAXAOCWJCUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN5O.ClH/c1-4-10-23-18-9-11-24-20(19(18)21(28)25(2)3)27-14-12-26(13-15-27)17-7-5-16(22)6-8-17;/h5-9,11H,4,10,12-15H2,1-3H3,(H,23,24);1H.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride has a molecular weight of 421.95 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67704361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).