N-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide

C17H20ClN3O — CID 44772505

IUPACN-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H20ClN3O/c1-2-10-19-16-8-5-14(12-21-16)17(22)20-11-9-13-3-6-15(18)7-4-13/h3-8,12H,2,9-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyLIPQOWFEHUOWQE-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.53
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide (PubChem CID 44772505) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide
PubChem CID44772505
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H20ClN3O/c1-2-10-19-16-8-5-14(12-21-16)17(22)20-11-9-13-3-6-15(18)7-4-13/h3-8,12H,2,9-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyLIPQOWFEHUOWQE-UHFFFAOYSA-N
XLogP3.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide (CID 44772505) is N-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide is CCCNc1ccc(C(=O)NCCc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is LIPQOWFEHUOWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-2-10-19-16-8-5-14(12-21-16)17(22)20-11-9-13-3-6-15(18)7-4-13/h3-8,12H,2,9-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 44772505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).