1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide

C25H26N6O3S — CID 143904134

About 1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide

1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 143904134) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is 1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide
• PubChem CID: 143904134
• Molecular Formula: C25H26N6O3S
• Molecular Weight: 490.59 g/mol
• Exact Mass: 490.18
• IUPAC Name: 1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide
• SMILES: CCNC(=O)Nc1cc(-c2nc(C)cs2)c(-c2ccc3c(=O)c(C(=O)NC)cn(CC)c3c2)cn1
• InChI: InChI=1S/C25H26N6O3S/c1-5-27-25(34)30-21-10-17(24-29-14(3)13-35-24)18(11-28-21)15-7-8-16-20(9-15)31(6-2)12-19(22(16)32)23(33)26-4/h7-13H,5-6H2,1-4H3,(H,26,33)(H2,27,28,30,34)
• InChIKey: NOJWJWKGBQMXNI-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 118.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.59
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide?

The IUPAC name of 1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide (CID 143904134) is 1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide.

What is the SMILES notation for 1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide?

The canonical SMILES for 1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide is CCNC(=O)Nc1cc(-c2nc(C)cs2)c(-c2ccc3c(=O)c(C(=O)NC)cn(CC)c3c2)cn1.

What is the InChIKey of 1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide?

The InChIKey is NOJWJWKGBQMXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-5-27-25(34)30-21-10-17(24-29-14(3)13-35-24)18(11-28-21)15-7-8-16-20(9-15)31(6-2)12-19(22(16)32)23(33)26-4/h7-13H,5-6H2,1-4H3,(H,26,33)(H2,27,28,30,34).

What are the key properties of 1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide?

1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 490.59 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 143904134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).