3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide

C24H20ClN3O3 — CID 161097757

IUPAC3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2Cl)cc2c1Cc1cc(C(=O)N3CCOCC3)ccc1-2
InChIInChI=1S/C24H20ClN3O3/c25-22-13-27-4-3-18(22)16-11-19-17-2-1-14(24(30)28-5-7-31-8-6-28)9-15(17)10-20(19)21(12-16)23(26)29/h1-4,9,11-13H,5-8,10H2,(H2,26,29)
InChIKeyUIABLIGQDATVEW-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.54
Rot. Bonds3

About 3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide

3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide (PubChem CID 161097757) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
PubChem CID161097757
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2Cl)cc2c1Cc1cc(C(=O)N3CCOCC3)ccc1-2
InChIInChI=1S/C24H20ClN3O3/c25-22-13-27-4-3-18(22)16-11-19-17-2-1-14(24(30)28-5-7-31-8-6-28)9-15(17)10-20(19)21(12-16)23(26)29/h1-4,9,11-13H,5-8,10H2,(H2,26,29)
InChIKeyUIABLIGQDATVEW-UHFFFAOYSA-N
XLogP3.54
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide (CID 161097757) is 3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide is NC(=O)c1cc(-c2ccncc2Cl)cc2c1Cc1cc(C(=O)N3CCOCC3)ccc1-2.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide?
The InChIKey is UIABLIGQDATVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c25-22-13-27-4-3-18(22)16-11-19-17-2-1-14(24(30)28-5-7-31-8-6-28)9-15(17)10-20(19)21(12-16)23(26)29/h1-4,9,11-13H,5-8,10H2,(H2,26,29).
What are the key properties of 3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide?
3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 161097757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).