5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide

C23H21N7O3S — CID 143854950

About 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide

5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 143854950) has the molecular formula C23H21N7O3S and a molecular weight of 475.53 g/mol. Its IUPAC name is 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
• PubChem CID: 143854950
• Molecular Formula: C23H21N7O3S
• Molecular Weight: 475.53 g/mol
• Exact Mass: 475.14
• IUPAC Name: 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
• SMILES: CCNC(=O)Nc1cc(-c2nc(-c3ccc(OC)nc3)cs2)c(-c2cncc(C(N)=O)c2)cn1
• InChI: InChI=1S/C23H21N7O3S/c1-3-26-23(32)30-19-7-16(17(11-27-19)14-6-15(21(24)31)9-25-8-14)22-29-18(12-34-22)13-4-5-20(33-2)28-10-13/h4-12H,3H2,1-2H3,(H2,24,31)(H2,26,27,30,32)
• InChIKey: IUASUYURKPEWOX-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 145.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.53
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?

The IUPAC name of 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide (CID 143854950) is 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?

The canonical SMILES for 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide is CCNC(=O)Nc1cc(-c2nc(-c3ccc(OC)nc3)cs2)c(-c2cncc(C(N)=O)c2)cn1.

What is the InChIKey of 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?

The InChIKey is IUASUYURKPEWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O3S/c1-3-26-23(32)30-19-7-16(17(11-27-19)14-6-15(21(24)31)9-25-8-14)22-29-18(12-34-22)13-4-5-20(33-2)28-10-13/h4-12H,3H2,1-2H3,(H2,24,31)(H2,26,27,30,32).

What are the key properties of 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?

5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 475.53 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 143854950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).