6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide

C22H30FN5O2 — CID 67704408

IUPAC6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1nc(N2CCN(c3ccc(F)cc3OC)CC2)ccc1C(=O)N(C)C
InChIInChI=1S/C22H30FN5O2/c1-5-10-24-21-17(22(29)26(2)3)7-9-20(25-21)28-13-11-27(12-14-28)18-8-6-16(23)15-19(18)30-4/h6-9,15H,5,10-14H2,1-4H3,(H,24,25)
InChIKeySUZFBSPRINHNGO-UHFFFAOYSA-N
MW415.51 g/mol
LogP3.08
Rot. Bonds7

About 6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide

6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide (PubChem CID 67704408) has the molecular formula C22H30FN5O2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide
PubChem CID67704408
Molecular FormulaC22H30FN5O2
Molecular Weight415.51 g/mol
Exact Mass415.24
IUPAC Name6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1nc(N2CCN(c3ccc(F)cc3OC)CC2)ccc1C(=O)N(C)C
InChIInChI=1S/C22H30FN5O2/c1-5-10-24-21-17(22(29)26(2)3)7-9-20(25-21)28-13-11-27(12-14-28)18-8-6-16(23)15-19(18)30-4/h6-9,15H,5,10-14H2,1-4H3,(H,24,25)
InChIKeySUZFBSPRINHNGO-UHFFFAOYSA-N
XLogP3.08
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide (CID 67704408) is 6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide is CCCNc1nc(N2CCN(c3ccc(F)cc3OC)CC2)ccc1C(=O)N(C)C.
What is the InChIKey of 6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is SUZFBSPRINHNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O2/c1-5-10-24-21-17(22(29)26(2)3)7-9-20(25-21)28-13-11-27(12-14-28)18-8-6-16(23)15-19(18)30-4/h6-9,15H,5,10-14H2,1-4H3,(H,24,25).
What are the key properties of 6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide?
6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67704408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).