2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide

C27H33FN6O3 — CID 123932416

About 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide

2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 123932416) has the molecular formula C27H33FN6O3 and a molecular weight of 508.60 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
• PubChem CID: 123932416
• Molecular Formula: C27H33FN6O3
• Molecular Weight: 508.60 g/mol
• Exact Mass: 508.26
• IUPAC Name: 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
• SMILES: Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2C)c1
• InChI: InChI=1S/C27H33FN6O3/c1-17-16-37-10-8-34(17)25-13-20(12-24(33-25)30-7-9-35)22-14-21(15-31-18(22)2)32-26(36)19-5-6-29-23(11-19)27(3,4)28/h5-6,11-15,17,35H,7-10,16H2,1-4H3,(H,30,33)(H,32,36)
• InChIKey: IKRWPOVNCZKZBX-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 112.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.60
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?

The IUPAC name of 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide (CID 123932416) is 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?

The canonical SMILES for 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2C)c1.

What is the InChIKey of 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?

The InChIKey is IKRWPOVNCZKZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O3/c1-17-16-37-10-8-34(17)25-13-20(12-24(33-25)30-7-9-35)22-14-21(15-31-18(22)2)32-26(36)19-5-6-29-23(11-19)27(3,4)28/h5-6,11-15,17,35H,7-10,16H2,1-4H3,(H,30,33)(H,32,36).

What are the key properties of 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?

2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 508.60 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 123932416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).