N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide

C19H21Cl2N3O — CID 55799150

IUPACN-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1Cl)c1cccnc1N1CCCCC1
InChIInChI=1S/C19H21Cl2N3O/c20-16-8-4-6-14(17(16)21)9-11-23-19(25)15-7-5-10-22-18(15)24-12-2-1-3-13-24/h4-8,10H,1-3,9,11-13H2,(H,23,25)
InChIKeyHRSDVQJDGBAZFP-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.35
Rot. Bonds5

About N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide

N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 55799150) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID55799150
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC NameN-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1Cl)c1cccnc1N1CCCCC1
InChIInChI=1S/C19H21Cl2N3O/c20-16-8-4-6-14(17(16)21)9-11-23-19(25)15-7-5-10-22-18(15)24-12-2-1-3-13-24/h4-8,10H,1-3,9,11-13H2,(H,23,25)
InChIKeyHRSDVQJDGBAZFP-UHFFFAOYSA-N
XLogP4.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide (CID 55799150) is N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide is O=C(NCCc1cccc(Cl)c1Cl)c1cccnc1N1CCCCC1.
What is the InChIKey of N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is HRSDVQJDGBAZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c20-16-8-4-6-14(17(16)21)9-11-23-19(25)15-7-5-10-22-18(15)24-12-2-1-3-13-24/h4-8,10H,1-3,9,11-13H2,(H,23,25).
What are the key properties of N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide?
N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 378.30 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 55799150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).