1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C18H19F3N4O4S — CID 17415951

IUPAC1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C18H19F3N4O4S/c1-2-24(9-14(26)23-8-11-4-3-7-30-11)15(27)10-25-13(18(19,20)21)6-5-12(16(22)28)17(25)29/h3-7H,2,8-10H2,1H3,(H2,22,28)(H,23,26)
InChIKeyOACLPNFBQIQEMQ-UHFFFAOYSA-N
MW444.44 g/mol
LogP1.19
Rot. Bonds8

About 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 17415951) has the molecular formula C18H19F3N4O4S and a molecular weight of 444.44 g/mol. Its IUPAC name is 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID17415951
Molecular FormulaC18H19F3N4O4S
Molecular Weight444.44 g/mol
Exact Mass444.11
IUPAC Name1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C18H19F3N4O4S/c1-2-24(9-14(26)23-8-11-4-3-7-30-11)15(27)10-25-13(18(19,20)21)6-5-12(16(22)28)17(25)29/h3-7H,2,8-10H2,1H3,(H2,22,28)(H,23,26)
InChIKeyOACLPNFBQIQEMQ-UHFFFAOYSA-N
XLogP1.19
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 17415951) is 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is CCN(CC(=O)NCc1cccs1)C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O.
What is the InChIKey of 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OACLPNFBQIQEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O4S/c1-2-24(9-14(26)23-8-11-4-3-7-30-11)15(27)10-25-13(18(19,20)21)6-5-12(16(22)28)17(25)29/h3-7H,2,8-10H2,1H3,(H2,22,28)(H,23,26).
What are the key properties of 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 444.44 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 17415951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).