2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H29N3O3 — CID 23472946

About 2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472946) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 23472946
• Molecular Formula: C25H29N3O3
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.22
• IUPAC Name: 2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCc1ccc2oc3c(c(=O)c2c1)C(c1cccnc1)N(CCCN(CC)CC)C3=O
• InChI: InChI=1S/C25H29N3O3/c1-4-17-10-11-20-19(15-17)23(29)21-22(18-9-7-12-26-16-18)28(25(30)24(21)31-20)14-8-13-27(5-2)6-3/h7,9-12,15-16,22H,4-6,8,13-14H2,1-3H3
• InChIKey: VTGNIUYGEAPKNE-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 66.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472946) is 2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc2oc3c(c(=O)c2c1)C(c1cccnc1)N(CCCN(CC)CC)C3=O.

What is the InChIKey of 2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is VTGNIUYGEAPKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-4-17-10-11-20-19(15-17)23(29)21-22(18-9-7-12-26-16-18)28(25(30)24(21)31-20)14-8-13-27(5-2)6-3/h7,9-12,15-16,22H,4-6,8,13-14H2,1-3H3.

What are the key properties of 2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 419.53 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).