N-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide

C19H24N4O4S — CID 126471576

IUPACN-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide
SMILESCOCCNc1nc(-c2ccc(C(C)=O)s2)ccc1C(=O)NCCNC(C)=O
InChIInChI=1S/C19H24N4O4S/c1-12(24)16-6-7-17(28-16)15-5-4-14(18(23-15)21-10-11-27-3)19(26)22-9-8-20-13(2)25/h4-7H,8-11H2,1-3H3,(H,20,25)(H,21,23)(H,22,26)
InChIKeyXQOXNPMNAJJIJJ-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.94
Rot. Bonds10

About N-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide

N-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide (PubChem CID 126471576) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide
PubChem CID126471576
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide
SMILESCOCCNc1nc(-c2ccc(C(C)=O)s2)ccc1C(=O)NCCNC(C)=O
InChIInChI=1S/C19H24N4O4S/c1-12(24)16-6-7-17(28-16)15-5-4-14(18(23-15)21-10-11-27-3)19(26)22-9-8-20-13(2)25/h4-7H,8-11H2,1-3H3,(H,20,25)(H,21,23)(H,22,26)
InChIKeyXQOXNPMNAJJIJJ-UHFFFAOYSA-N
XLogP1.94
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide (CID 126471576) is N-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide is COCCNc1nc(-c2ccc(C(C)=O)s2)ccc1C(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide?
The InChIKey is XQOXNPMNAJJIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-12(24)16-6-7-17(28-16)15-5-4-14(18(23-15)21-10-11-27-3)19(26)22-9-8-20-13(2)25/h4-7H,8-11H2,1-3H3,(H,20,25)(H,21,23)(H,22,26).
What are the key properties of N-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide?
N-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 1.94, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-6-(5-acetylthiophen-2-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 126471576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).