N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide

C24H27Cl2N5O — CID 45278646

IUPACN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2cccnc2)cc1C(=O)NCCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C24H27Cl2N5O/c1-17-19(15-21(29-17)18-5-3-8-27-16-18)24(32)28-9-4-10-30-11-13-31(14-12-30)22-7-2-6-20(25)23(22)26/h2-3,5-8,15-16,29H,4,9-14H2,1H3,(H,28,32)
InChIKeyLPSVMGRZQLWORC-UHFFFAOYSA-N
MW472.42 g/mol
LogP4.63
Rot. Bonds7

About N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide (PubChem CID 45278646) has the molecular formula C24H27Cl2N5O and a molecular weight of 472.42 g/mol. Its IUPAC name is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide
PubChem CID45278646
Molecular FormulaC24H27Cl2N5O
Molecular Weight472.42 g/mol
Exact Mass471.16
IUPAC NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2cccnc2)cc1C(=O)NCCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C24H27Cl2N5O/c1-17-19(15-21(29-17)18-5-3-8-27-16-18)24(32)28-9-4-10-30-11-13-31(14-12-30)22-7-2-6-20(25)23(22)26/h2-3,5-8,15-16,29H,4,9-14H2,1H3,(H,28,32)
InChIKeyLPSVMGRZQLWORC-UHFFFAOYSA-N
XLogP4.63
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 45279481
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethyl-5-pyridin-3-ylpyrrole-3-carboxamide
CID 45278726
5-but-3-enyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 45278730
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45278886
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 58358816
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1-piperidin-1-ylpyrrole-3-carboxamide
CID 45278883
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
CID 66576693
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-1-propyl-5-pyridin-4-ylpyrrole-3-carboxamide
CID 58358820
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride
CID 90665201
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-1-propyl-5-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 45278565
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride
CID 45279569
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
CID 10873956

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide (CID 45278646) is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2cccnc2)cc1C(=O)NCCCN1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide?
The InChIKey is LPSVMGRZQLWORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O/c1-17-19(15-21(29-17)18-5-3-8-27-16-18)24(32)28-9-4-10-30-11-13-31(14-12-30)22-7-2-6-20(25)23(22)26/h2-3,5-8,15-16,29H,4,9-14H2,1H3,(H,28,32).
What are the key properties of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide?
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide has a molecular weight of 472.42 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 45278646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).