2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide

C17H17Cl2N3O — CID 1085983

IUPAC2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccnc1Cl
InChIInChI=1S/C17H17Cl2N3O/c18-14-11-12(6-7-15(14)22-9-2-1-3-10-22)21-17(23)13-5-4-8-20-16(13)19/h4-8,11H,1-3,9-10H2,(H,21,23)
InChIKeyVGCWTQGUDWVHSB-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.63
Rot. Bonds3

About 2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide

2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 1085983) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID1085983
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccnc1Cl
InChIInChI=1S/C17H17Cl2N3O/c18-14-11-12(6-7-15(14)22-9-2-1-3-10-22)21-17(23)13-5-4-8-20-16(13)19/h4-8,11H,1-3,9-10H2,(H,21,23)
InChIKeyVGCWTQGUDWVHSB-UHFFFAOYSA-N
XLogP4.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide (CID 1085983) is 2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is VGCWTQGUDWVHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-14-11-12(6-7-15(14)22-9-2-1-3-10-22)21-17(23)13-5-4-8-20-16(13)19/h4-8,11H,1-3,9-10H2,(H,21,23).
What are the key properties of 2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 350.25 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 1085983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).