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

C21H29ClFN5O — CID 22370998

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride
SMILESCCCNc1nccc(N2CCN(c3ccc(F)cc3)CC2)c1C(=O)N(C)C.Cl
InChIInChI=1S/C21H28FN5O.ClH/c1-4-10-23-20-19(21(28)25(2)3)18(9-11-24-20)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
InChIKeyKQRULFUFAHZDON-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.49
Rot. Bonds6

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

4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride (PubChem CID 22370998) has the molecular formula C21H29ClFN5O and a molecular weight of 421.95 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride
PubChem CID22370998
Molecular FormulaC21H29ClFN5O
Molecular Weight421.95 g/mol
Exact Mass421.20
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride
SMILESCCCNc1nccc(N2CCN(c3ccc(F)cc3)CC2)c1C(=O)N(C)C.Cl
InChIInChI=1S/C21H28FN5O.ClH/c1-4-10-23-20-19(21(28)25(2)3)18(9-11-24-20)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
InChIKeyKQRULFUFAHZDON-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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride (CID 22370998) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride is CCCNc1nccc(N2CCN(c3ccc(F)cc3)CC2)c1C(=O)N(C)C.Cl.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride?
The InChIKey is KQRULFUFAHZDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN5O.ClH/c1-4-10-23-20-19(21(28)25(2)3)18(9-11-24-20)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 4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride?
4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-2-(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 4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 22370998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).