N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

C18H23Cl2N5O3S — CID 55723205

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C18H23Cl2N5O3S/c1-24-12-14(29(27,28)25-7-3-2-4-8-25)10-16(24)18(26)22-6-5-21-17-15(20)9-13(19)11-23-17/h9-12H,2-8H2,1H3,(H,21,23)(H,22,26)
InChIKeyZHVPTNRDSBQOJY-UHFFFAOYSA-N
MW460.39 g/mol
LogP2.74
Rot. Bonds7

About N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 55723205) has the molecular formula C18H23Cl2N5O3S and a molecular weight of 460.39 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID55723205
Molecular FormulaC18H23Cl2N5O3S
Molecular Weight460.39 g/mol
Exact Mass459.09
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C18H23Cl2N5O3S/c1-24-12-14(29(27,28)25-7-3-2-4-8-25)10-16(24)18(26)22-6-5-21-17-15(20)9-13(19)11-23-17/h9-12H,2-8H2,1H3,(H,21,23)(H,22,26)
InChIKeyZHVPTNRDSBQOJY-UHFFFAOYSA-N
XLogP2.74
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087222
N-(2-ethoxyethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87020144
N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 46592275
N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46422728
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030
1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 55737275
N-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 86860488
N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55955220
1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 37311695
1-methyl-N-(2-piperidin-3-ylethyl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 119555768

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (CID 55723205) is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCNc1ncc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is ZHVPTNRDSBQOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N5O3S/c1-24-12-14(29(27,28)25-7-3-2-4-8-25)10-16(24)18(26)22-6-5-21-17-15(20)9-13(19)11-23-17/h9-12H,2-8H2,1H3,(H,21,23)(H,22,26).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 460.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 55723205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).