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

C18H19Cl4N5O — CID 45274908

IUPAC1-(3,5-dichloro-4-pyridinyl)-N-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]piperidine-4-carboxamide
SMILESO=C(NCCNc1c(Cl)cncc1Cl)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C18H19Cl4N5O/c19-12-7-23-8-13(20)16(12)25-3-4-26-18(28)11-1-5-27(6-2-11)17-14(21)9-24-10-15(17)22/h7-11H,1-6H2,(H,23,25)(H,26,28)
InChIKeyYRXUXPPGGMJPET-UHFFFAOYSA-N
MW463.20 g/mol
LogP4.53
Rot. Bonds6

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

1-(3,5-dichloro-4-pyridinyl)-N-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]piperidine-4-carboxamide (PubChem CID 45274908) has the molecular formula C18H19Cl4N5O and a molecular weight of 463.20 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridinyl)-N-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridinyl)-N-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]piperidine-4-carboxamide
PubChem CID45274908
Molecular FormulaC18H19Cl4N5O
Molecular Weight463.20 g/mol
Exact Mass461.03
IUPAC Name1-(3,5-dichloro-4-pyridinyl)-N-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]piperidine-4-carboxamide
SMILESO=C(NCCNc1c(Cl)cncc1Cl)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C18H19Cl4N5O/c19-12-7-23-8-13(20)16(12)25-3-4-26-18(28)11-1-5-27(6-2-11)17-14(21)9-24-10-15(17)22/h7-11H,1-6H2,(H,23,25)(H,26,28)
InChIKeyYRXUXPPGGMJPET-UHFFFAOYSA-N
XLogP4.53
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.20
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-N-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-N-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]piperidine-4-carboxamide (CID 45274908) is 1-(3,5-dichloro-4-pyridinyl)-N-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridinyl)-N-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dichloro-4-pyridinyl)-N-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]piperidine-4-carboxamide is O=C(NCCNc1c(Cl)cncc1Cl)C1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 1-(3,5-dichloro-4-pyridinyl)-N-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]piperidine-4-carboxamide?
The InChIKey is YRXUXPPGGMJPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl4N5O/c19-12-7-23-8-13(20)16(12)25-3-4-26-18(28)11-1-5-27(6-2-11)17-14(21)9-24-10-15(17)22/h7-11H,1-6H2,(H,23,25)(H,26,28).
What are the key properties of 1-(3,5-dichloro-4-pyridinyl)-N-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]piperidine-4-carboxamide?
1-(3,5-dichloro-4-pyridinyl)-N-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]piperidine-4-carboxamide has a molecular weight of 463.20 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-pyridinyl)-N-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 45274908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).