(2S)-2-cyclopropyl-3-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]propanamide

C23H24N4O4 — CID 157359749

About (2S)-2-cyclopropyl-3-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]propanamide

(2S)-2-cyclopropyl-3-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]propanamide (PubChem CID 157359749) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-3-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-cyclopropyl-3-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]propanamide
• PubChem CID: 157359749
• Molecular Formula: C23H24N4O4
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.18
• IUPAC Name: (2S)-2-cyclopropyl-3-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]propanamide
• SMILES: NC(=O)[C@@H](Cc1cc2c3c(c1)nc(-c1ccc4c(n1)OCCO4)n3CCCO2)C1CC1
• InChI: InChI=1S/C23H24N4O4/c24-21(28)15(14-2-3-14)10-13-11-17-20-19(12-13)29-7-1-6-27(20)22(25-17)16-4-5-18-23(26-16)31-9-8-30-18/h4-5,11-12,14-15H,1-3,6-10H2,(H2,24,28)/t15-/m0/s1
• InChIKey: BIMOGUODTCTPRI-HNNXBMFYSA-N
• XLogP: 2.71
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-3-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]propanamide?

The IUPAC name of (2S)-2-cyclopropyl-3-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]propanamide (CID 157359749) is (2S)-2-cyclopropyl-3-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]propanamide.

What is the SMILES notation for (2S)-2-cyclopropyl-3-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]propanamide?

The canonical SMILES for (2S)-2-cyclopropyl-3-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]propanamide is NC(=O)[C@@H](Cc1cc2c3c(c1)nc(-c1ccc4c(n1)OCCO4)n3CCCO2)C1CC1.

What is the InChIKey of (2S)-2-cyclopropyl-3-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]propanamide?

The InChIKey is BIMOGUODTCTPRI-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24N4O4/c24-21(28)15(14-2-3-14)10-13-11-17-20-19(12-13)29-7-1-6-27(20)22(25-17)16-4-5-18-23(26-16)31-9-8-30-18/h4-5,11-12,14-15H,1-3,6-10H2,(H2,24,28)/t15-/m0/s1.

What are the key properties of (2S)-2-cyclopropyl-3-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]propanamide?

(2S)-2-cyclopropyl-3-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]propanamide has a molecular weight of 420.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-cyclopropyl-3-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]propanamide is sourced from PubChem (CID 157359749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).