N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide

C23H28F2N4O2 — CID 167539534

IUPACN-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3ccc(F)nc3C)CC2)cc1F
InChIInChI=1S/C23H28F2N4O2/c1-4-22(30)27(3)20-8-7-18(15-19(20)24)28-11-13-29(14-12-28)23(31)10-6-17-5-9-21(25)26-16(17)2/h5,7-9,15H,4,6,10-14H2,1-3H3
InChIKeyBPVIRVHUAADQNQ-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.32
Rot. Bonds6

About N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide

N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide (PubChem CID 167539534) has the molecular formula C23H28F2N4O2 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide
PubChem CID167539534
Molecular FormulaC23H28F2N4O2
Molecular Weight430.50 g/mol
Exact Mass430.22
IUPAC NameN-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3ccc(F)nc3C)CC2)cc1F
InChIInChI=1S/C23H28F2N4O2/c1-4-22(30)27(3)20-8-7-18(15-19(20)24)28-11-13-29(14-12-28)23(31)10-6-17-5-9-21(25)26-16(17)2/h5,7-9,15H,4,6,10-14H2,1-3H3
InChIKeyBPVIRVHUAADQNQ-UHFFFAOYSA-N
XLogP3.32
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-fluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide
CID 167606300
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide
CID 167695846
N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167558203
N-[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167602133
N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167705958
N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide
CID 167587623
1-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 77096349
3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 53186164
ethyl 5-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]-1-benzofuran-2-carboxylate
CID 118710572
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
2-[2-ethyl-4-[3-oxo-3-[4-[4-(2,2,2-trifluoroacetyl)phenyl]piperazin-1-yl]propyl]phenyl]acetamide
CID 173094894

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide (CID 167539534) is N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3ccc(F)nc3C)CC2)cc1F.
What is the InChIKey of N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide?
The InChIKey is BPVIRVHUAADQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O2/c1-4-22(30)27(3)20-8-7-18(15-19(20)24)28-11-13-29(14-12-28)23(31)10-6-17-5-9-21(25)26-16(17)2/h5,7-9,15H,4,6,10-14H2,1-3H3.
What are the key properties of N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide?
N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide has a molecular weight of 430.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167539534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).