2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide

C17H17Cl2N3O — CID 87321751

IUPAC2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C17H17Cl2N3O/c18-15-8-13(9-16(19)22-15)17(23)21-14-5-3-11(4-6-14)12-2-1-7-20-10-12/h3-6,8-9,12,20H,1-2,7,10H2,(H,21,23)/t12-/m1/s1
InChIKeyUNPXDJVIXCAWBG-GFCCVEGCSA-N
MW350.25 g/mol
LogP4.11
Rot. Bonds3

About 2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide

2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide (PubChem CID 87321751) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide
PubChem CID87321751
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C17H17Cl2N3O/c18-15-8-13(9-16(19)22-15)17(23)21-14-5-3-11(4-6-14)12-2-1-7-20-10-12/h3-6,8-9,12,20H,1-2,7,10H2,(H,21,23)/t12-/m1/s1
InChIKeyUNPXDJVIXCAWBG-GFCCVEGCSA-N
XLogP4.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.11
H-Bond Donors ≤ 52
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 2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide (CID 87321751) is 2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide is O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is UNPXDJVIXCAWBG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-15-8-13(9-16(19)22-15)17(23)21-14-5-3-11(4-6-14)12-2-1-7-20-10-12/h3-6,8-9,12,20H,1-2,7,10H2,(H,21,23)/t12-/m1/s1.
What are the key properties of 2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide?
2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 350.25 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 87321751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).