N-[4-[[2-[(5-ethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide

C32H30F2N6O4 — CID 169490069

About N-[4-[[2-[(5-ethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide

N-[4-[[2-[(5-ethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide (PubChem CID 169490069) has the molecular formula C32H30F2N6O4 and a molecular weight of 600.63 g/mol. Its IUPAC name is N-[4-[[2-[(5-ethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[2-[(5-ethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide
• PubChem CID: 169490069
• Molecular Formula: C32H30F2N6O4
• Molecular Weight: 600.63 g/mol
• Exact Mass: 600.23
• IUPAC Name: N-[4-[[2-[(5-ethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide
• SMILES: CCc1ccc(Nc2cc(Oc3ccc(NC(=O)C4CN(C(C)C)C(=O)N(c5ccc(F)cc5)C4=O)cc3F)ccn2)nc1
• InChI: InChI=1S/C32H30F2N6O4/c1-4-20-5-12-28(36-17-20)38-29-16-24(13-14-35-29)44-27-11-8-22(15-26(27)34)37-30(41)25-18-39(19(2)3)32(43)40(31(25)42)23-9-6-21(33)7-10-23/h5-17,19,25H,4,18H2,1-3H3,(H,37,41)(H,35,36,38)
• InChIKey: HNEDOZBXMNYAGC-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 116.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.63
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(5-ethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?

The IUPAC name of N-[4-[[2-[(5-ethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide (CID 169490069) is N-[4-[[2-[(5-ethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide.

What is the SMILES notation for N-[4-[[2-[(5-ethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?

The canonical SMILES for N-[4-[[2-[(5-ethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide is CCc1ccc(Nc2cc(Oc3ccc(NC(=O)C4CN(C(C)C)C(=O)N(c5ccc(F)cc5)C4=O)cc3F)ccn2)nc1.

What is the InChIKey of N-[4-[[2-[(5-ethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?

The InChIKey is HNEDOZBXMNYAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N6O4/c1-4-20-5-12-28(36-17-20)38-29-16-24(13-14-35-29)44-27-11-8-22(15-26(27)34)37-30(41)25-18-39(19(2)3)32(43)40(31(25)42)23-9-6-21(33)7-10-23/h5-17,19,25H,4,18H2,1-3H3,(H,37,41)(H,35,36,38).

What are the key properties of N-[4-[[2-[(5-ethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide?

N-[4-[[2-[(5-ethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide has a molecular weight of 600.63 g/mol, XLogP of 6.28, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-[(5-ethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 169490069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).