N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide

C19H20Cl2N4O3 — CID 66546864

IUPACN-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
SMILESCOc1cccc(N2CCN(C(=O)CC(=O)Nc3ccc(Cl)nc3Cl)CC2)c1
InChIInChI=1S/C19H20Cl2N4O3/c1-28-14-4-2-3-13(11-14)24-7-9-25(10-8-24)18(27)12-17(26)22-15-5-6-16(20)23-19(15)21/h2-6,11H,7-10,12H2,1H3,(H,22,26)
InChIKeyNWMDMWXZTSZJIB-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.07
Rot. Bonds5

About N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide

N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide (PubChem CID 66546864) has the molecular formula C19H20Cl2N4O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
PubChem CID66546864
Molecular FormulaC19H20Cl2N4O3
Molecular Weight423.30 g/mol
Exact Mass422.09
IUPAC NameN-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
SMILESCOc1cccc(N2CCN(C(=O)CC(=O)Nc3ccc(Cl)nc3Cl)CC2)c1
InChIInChI=1S/C19H20Cl2N4O3/c1-28-14-4-2-3-13(11-14)24-7-9-25(10-8-24)18(27)12-17(26)22-15-5-6-16(20)23-19(15)21/h2-6,11H,7-10,12H2,1H3,(H,22,26)
InChIKeyNWMDMWXZTSZJIB-UHFFFAOYSA-N
XLogP3.07
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 142710223
N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108952804
N-(3,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108952778
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 30795165
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
N-(3-chloro-2-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949428
2-(cyclopropylmethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829431

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
The IUPAC name of N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide (CID 66546864) is N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide.
What is the SMILES notation for N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
The canonical SMILES for N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide is COc1cccc(N2CCN(C(=O)CC(=O)Nc3ccc(Cl)nc3Cl)CC2)c1.
What is the InChIKey of N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
The InChIKey is NWMDMWXZTSZJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3/c1-28-14-4-2-3-13(11-14)24-7-9-25(10-8-24)18(27)12-17(26)22-15-5-6-16(20)23-19(15)21/h2-6,11H,7-10,12H2,1H3,(H,22,26).
What are the key properties of N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide?
N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide has a molecular weight of 423.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-pyridinyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide is sourced from PubChem (CID 66546864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).