6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide

C24H30ClFN4O3 — CID 68737118

IUPAC6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc(N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)nc1
InChIInChI=1S/C24H30ClFN4O3/c1-17(2)33-14-4-9-27-24(32)18-7-8-22(28-16-18)29-10-12-30(13-11-29)23(31)15-19-20(25)5-3-6-21(19)26/h3,5-8,16-17H,4,9-15H2,1-2H3,(H,27,32)
InChIKeyOKCKBKLRIVHRAZ-UHFFFAOYSA-N
MW476.98 g/mol
LogP3.31
Rot. Bonds9

About 6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide

6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide (PubChem CID 68737118) has the molecular formula C24H30ClFN4O3 and a molecular weight of 476.98 g/mol. Its IUPAC name is 6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
PubChem CID68737118
Molecular FormulaC24H30ClFN4O3
Molecular Weight476.98 g/mol
Exact Mass476.20
IUPAC Name6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc(N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)nc1
InChIInChI=1S/C24H30ClFN4O3/c1-17(2)33-14-4-9-27-24(32)18-7-8-22(28-16-18)29-10-12-30(13-11-29)23(31)15-19-20(25)5-3-6-21(19)26/h3,5-8,16-17H,4,9-15H2,1-2H3,(H,27,32)
InChIKeyOKCKBKLRIVHRAZ-UHFFFAOYSA-N
XLogP3.31
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.98
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 68740615
6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 68737482
6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 68740139
6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 167796774
2-(2-chloro-6-fluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8004063
N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 11304265
6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 68739892
2-(2-chloro-6-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122350887
2-(2-chloro-6-fluorophenyl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56537530
2-(2-chloro-6-fluorophenyl)-1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122336789
2-(2-chloro-6-fluorophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 112766383
2-(2-chloro-6-fluorophenyl)-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 91631571

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide (CID 68737118) is 6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide is CC(C)OCCCNC(=O)c1ccc(N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)nc1.
What is the InChIKey of 6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
The InChIKey is OKCKBKLRIVHRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClFN4O3/c1-17(2)33-14-4-9-27-24(32)18-7-8-22(28-16-18)29-10-12-30(13-11-29)23(31)15-19-20(25)5-3-6-21(19)26/h3,5-8,16-17H,4,9-15H2,1-2H3,(H,27,32).
What are the key properties of 6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide has a molecular weight of 476.98 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 68737118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).