N-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide

C24H23ClN4O3 — CID 57392769

IUPACN-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(c3ncccc3C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C24H23ClN4O3/c1-32-20-9-7-17(8-10-20)24(31)29-14-12-28(13-15-29)22-21(6-3-11-26-22)23(30)27-19-5-2-4-18(25)16-19/h2-11,16H,12-15H2,1H3,(H,27,30)
InChIKeySIGJTLSOKKLNPF-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.96
Rot. Bonds5

About N-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide

N-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 57392769) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID57392769
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC NameN-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(c3ncccc3C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C24H23ClN4O3/c1-32-20-9-7-17(8-10-20)24(31)29-14-12-28(13-15-29)22-21(6-3-11-26-22)23(30)27-19-5-2-4-18(25)16-19/h2-11,16H,12-15H2,1H3,(H,27,30)
InChIKeySIGJTLSOKKLNPF-UHFFFAOYSA-N
XLogP3.96
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide (CID 57392769) is N-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide is COc1ccc(C(=O)N2CCN(c3ncccc3C(=O)Nc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is SIGJTLSOKKLNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-32-20-9-7-17(8-10-20)24(31)29-14-12-28(13-15-29)22-21(6-3-11-26-22)23(30)27-19-5-2-4-18(25)16-19/h2-11,16H,12-15H2,1H3,(H,27,30).
What are the key properties of N-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide?
N-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 57392769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).