N-[4-[[2-[(4,5-dimethyl-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 169490070

About N-[4-[[2-[(4,5-dimethyl-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-[(4,5-dimethyl-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 169490070) has the molecular formula C32H30F2N6O4 and a molecular weight of 600.63 g/mol. Its IUPAC name is N-[4-[[2-[(4,5-dimethyl-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-[(4,5-dimethyl-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: 169490070
• Molecular Formula: C32H30F2N6O4
• Molecular Weight: 600.63 g/mol
• Exact Mass: 600.23
• IUPAC Name: N-[4-[[2-[(4,5-dimethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide
• SMILES: Cc1cnc(Nc2cc(Oc3ccc(NC(=O)C4CN(C(C)C)C(=O)N(c5ccc(F)cc5)C4=O)cc3F)ccn2)cc1C
• InChI: InChI=1S/C32H30F2N6O4/c1-18(2)39-17-25(31(42)40(32(39)43)23-8-5-21(33)6-9-23)30(41)37-22-7-10-27(26(34)14-22)44-24-11-12-35-29(15-24)38-28-13-19(3)20(4)16-36-28/h5-16,18,25H,17H2,1-4H3,(H,37,41)(H,35,36,38)
• InChIKey: XIHFEBBLGKKULO-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 116.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.63
LogP ≤ 5	6.34
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-[(4,5-dimethyl-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-[(4,5-dimethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide (CID 169490070) is N-[4-[[2-[(4,5-dimethyl-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-[(4,5-dimethyl-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-[(4,5-dimethyl-2-pyridinyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide is Cc1cnc(Nc2cc(Oc3ccc(NC(=O)C4CN(C(C)C)C(=O)N(c5ccc(F)cc5)C4=O)cc3F)ccn2)cc1C.

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

What are the key properties of N-[4-[[2-[(4,5-dimethyl-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-[(4,5-dimethyl-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 6.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-[(4,5-dimethyl-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 169490070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).