3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide

C24H19N5O3 — CID 159940152

IUPAC3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
SMILESN#Cc1ncc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)N4CCOCC4)cc2C3)cn1
InChIInChI=1S/C24H19N5O3/c25-11-22-27-12-17(13-28-22)15-8-19-18-2-1-14(24(31)29-3-5-32-6-4-29)7-16(18)10-20(19)21(9-15)23(26)30/h1-2,7-9,12-13H,3-6,10H2,(H2,26,30)
InChIKeyOATRWBQVNRPADX-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.16
Rot. Bonds3

About 3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide

3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide (PubChem CID 159940152) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is 3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide.

Molecular Properties

Compound Name3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
PubChem CID159940152
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC Name3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
SMILESN#Cc1ncc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)N4CCOCC4)cc2C3)cn1
InChIInChI=1S/C24H19N5O3/c25-11-22-27-12-17(13-28-22)15-8-19-18-2-1-14(24(31)29-3-5-32-6-4-29)7-16(18)10-20(19)21(9-15)23(26)30/h1-2,7-9,12-13H,3-6,10H2,(H2,26,30)
InChIKeyOATRWBQVNRPADX-UHFFFAOYSA-N
XLogP2.16
TPSA122.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(morpholine-4-carbonyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)-9H-fluorene-1-carboxamide
CID 147925971
7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide
CID 148746011
7-(morpholine-4-carbonyl)-3-(4-morpholin-4-ylphenyl)-9H-fluorene-1-carboxamide
CID 149273217
7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-fluorene-1-carboxamide
CID 159441478
3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 161097757
3-(cyclohexen-1-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 146686457
3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 152964048
7-morpholin-4-yl-3-phenyl-9H-fluorene-1-carboxamide
CID 158093080
7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide
CID 157375270
7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide
CID 146851107
7-[(3R)-3-hydroxypiperidine-1-carbonyl]-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide
CID 159726035
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide?
The IUPAC name of 3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide (CID 159940152) is 3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide.
What is the SMILES notation for 3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide?
The canonical SMILES for 3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide is N#Cc1ncc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)N4CCOCC4)cc2C3)cn1.
What is the InChIKey of 3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide?
The InChIKey is OATRWBQVNRPADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c25-11-22-27-12-17(13-28-22)15-8-19-18-2-1-14(24(31)29-3-5-32-6-4-29)7-16(18)10-20(19)21(9-15)23(26)30/h1-2,7-9,12-13H,3-6,10H2,(H2,26,30).
What are the key properties of 3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide?
3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 159940152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).