5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide

C18H17Cl2N3O2 — CID 49359891

IUPAC5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCCCC2=O)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O2/c19-15-9-13(10-21-17(15)20)18(25)22-14-5-3-4-12(8-14)11-23-7-2-1-6-16(23)24/h3-5,8-10H,1-2,6-7,11H2,(H,22,25)
InChIKeyZZQQKKSHOROBIK-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.15
Rot. Bonds4

About 5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide

5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 49359891) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
PubChem CID49359891
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCCCC2=O)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O2/c19-15-9-13(10-21-17(15)20)18(25)22-14-5-3-4-12(8-14)11-23-7-2-1-6-16(23)24/h3-5,8-10H,1-2,6-7,11H2,(H,22,25)
InChIKeyZZQQKKSHOROBIK-UHFFFAOYSA-N
XLogP4.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide (CID 49359891) is 5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is ZZQQKKSHOROBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c19-15-9-13(10-21-17(15)20)18(25)22-14-5-3-4-12(8-14)11-23-7-2-1-6-16(23)24/h3-5,8-10H,1-2,6-7,11H2,(H,22,25).
What are the key properties of 5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 378.26 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 49359891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).