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

C23H25N3O3 — CID 664227

IUPAC2-[3-(diethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccnc1
InChIInChI=1S/C23H25N3O3/c1-3-25(4-2)13-8-14-26-20(16-9-7-12-24-15-16)19-21(27)17-10-5-6-11-18(17)29-22(19)23(26)28/h5-7,9-12,15,20H,3-4,8,13-14H2,1-2H3
InChIKeyJYCDYZJCIVZWNA-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.47
Rot. Bonds7

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

2-[3-(diethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 664227) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID664227
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[3-(diethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccnc1
InChIInChI=1S/C23H25N3O3/c1-3-25(4-2)13-8-14-26-20(16-9-7-12-24-15-16)19-21(27)17-10-5-6-11-18(17)29-22(19)23(26)28/h5-7,9-12,15,20H,3-4,8,13-14H2,1-2H3
InChIKeyJYCDYZJCIVZWNA-UHFFFAOYSA-N
XLogP3.47
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[3-(diethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 664227) is 2-[3-(diethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[3-(diethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[3-(diethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccnc1.
What is the InChIKey of 2-[3-(diethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JYCDYZJCIVZWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-25(4-2)13-8-14-26-20(16-9-7-12-24-15-16)19-21(27)17-10-5-6-11-18(17)29-22(19)23(26)28/h5-7,9-12,15,20H,3-4,8,13-14H2,1-2H3.
What are the key properties of 2-[3-(diethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[3-(diethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 391.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 664227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).