N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide

C32H35ClFN5O4 — CID 10348724

IUPACN-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESCCCC1C(=O)N(C(Cc2ccc(Cl)cc2)C(=O)NC)CCN1C(=O)C(Cc1ccc(F)cc1)NC(=O)c1ccncc1
InChIInChI=1S/C32H35ClFN5O4/c1-3-4-27-32(43)39(28(30(41)35-2)20-22-5-9-24(33)10-6-22)18-17-38(27)31(42)26(19-21-7-11-25(34)12-8-21)37-29(40)23-13-15-36-16-14-23/h5-16,26-28H,3-4,17-20H2,1-2H3,(H,35,41)(H,37,40)
InChIKeyAWDLYPTXPJIKKA-UHFFFAOYSA-N
MW608.11 g/mol
LogP3.41
Rot. Bonds11

About N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide

N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide (PubChem CID 10348724) has the molecular formula C32H35ClFN5O4 and a molecular weight of 608.11 g/mol. Its IUPAC name is N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide
PubChem CID10348724
Molecular FormulaC32H35ClFN5O4
Molecular Weight608.11 g/mol
Exact Mass607.24
IUPAC NameN-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESCCCC1C(=O)N(C(Cc2ccc(Cl)cc2)C(=O)NC)CCN1C(=O)C(Cc1ccc(F)cc1)NC(=O)c1ccncc1
InChIInChI=1S/C32H35ClFN5O4/c1-3-4-27-32(43)39(28(30(41)35-2)20-22-5-9-24(33)10-6-22)18-17-38(27)31(42)26(19-21-7-11-25(34)12-8-21)37-29(40)23-13-15-36-16-14-23/h5-16,26-28H,3-4,17-20H2,1-2H3,(H,35,41)(H,37,40)
InChIKeyAWDLYPTXPJIKKA-UHFFFAOYSA-N
XLogP3.41
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.11
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide (CID 10348724) is N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide is CCCC1C(=O)N(C(Cc2ccc(Cl)cc2)C(=O)NC)CCN1C(=O)C(Cc1ccc(F)cc1)NC(=O)c1ccncc1.
What is the InChIKey of N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide?
The InChIKey is AWDLYPTXPJIKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClFN5O4/c1-3-4-27-32(43)39(28(30(41)35-2)20-22-5-9-24(33)10-6-22)18-17-38(27)31(42)26(19-21-7-11-25(34)12-8-21)37-29(40)23-13-15-36-16-14-23/h5-16,26-28H,3-4,17-20H2,1-2H3,(H,35,41)(H,37,40).
What are the key properties of N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide?
N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide has a molecular weight of 608.11 g/mol, XLogP of 3.41, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 10348724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).