6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide

C17H14ClN3O2S — CID 23130609

IUPAC6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCc2ccc(Oc3ccc(Cl)cc3)s2)cn1
InChIInChI=1S/C17H14ClN3O2S/c18-12-2-4-13(5-3-12)23-16-8-6-14(24-16)10-21-17(22)11-1-7-15(19)20-9-11/h1-9H,10H2,(H2,19,20)(H,21,22)
InChIKeyWLBSTFMLVDXKNK-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.10
Rot. Bonds5

About 6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide

6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 23130609) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide
PubChem CID23130609
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCc2ccc(Oc3ccc(Cl)cc3)s2)cn1
InChIInChI=1S/C17H14ClN3O2S/c18-12-2-4-13(5-3-12)23-16-8-6-14(24-16)10-21-17(22)11-1-7-15(19)20-9-11/h1-9H,10H2,(H2,19,20)(H,21,22)
InChIKeyWLBSTFMLVDXKNK-UHFFFAOYSA-N
XLogP4.10
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide (CID 23130609) is 6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide is Nc1ccc(C(=O)NCc2ccc(Oc3ccc(Cl)cc3)s2)cn1.
What is the InChIKey of 6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is WLBSTFMLVDXKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c18-12-2-4-13(5-3-12)23-16-8-6-14(24-16)10-21-17(22)11-1-7-15(19)20-9-11/h1-9H,10H2,(H2,19,20)(H,21,22).
What are the key properties of 6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide?
6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[[5-(4-chlorophenoxy)thiophen-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 23130609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).