N-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide

C23H29F3N6OS — CID 139362613

IUPACN-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide
SMILESNCCNC(=O)c1ccc2c(c1)Sc1cc(C(F)(F)F)cc(NC3CCN(CCN)CC3)c1N2
InChIInChI=1S/C23H29F3N6OS/c24-23(25,26)15-12-18(30-16-3-8-32(9-4-16)10-6-28)21-20(13-15)34-19-11-14(1-2-17(19)31-21)22(33)29-7-5-27/h1-2,11-13,16,30-31H,3-10,27-28H2,(H,29,33)
InChIKeyVVRPUFFAGYXGLM-UHFFFAOYSA-N
MW494.59 g/mol
LogP3.44
Rot. Bonds7

About N-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide

N-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide (PubChem CID 139362613) has the molecular formula C23H29F3N6OS and a molecular weight of 494.59 g/mol. Its IUPAC name is N-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide
PubChem CID139362613
Molecular FormulaC23H29F3N6OS
Molecular Weight494.59 g/mol
Exact Mass494.21
IUPAC NameN-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide
SMILESNCCNC(=O)c1ccc2c(c1)Sc1cc(C(F)(F)F)cc(NC3CCN(CCN)CC3)c1N2
InChIInChI=1S/C23H29F3N6OS/c24-23(25,26)15-12-18(30-16-3-8-32(9-4-16)10-6-28)21-20(13-15)34-19-11-14(1-2-17(19)31-21)22(33)29-7-5-27/h1-2,11-13,16,30-31H,3-10,27-28H2,(H,29,33)
InChIKeyVVRPUFFAGYXGLM-UHFFFAOYSA-N
XLogP3.44
TPSA108.44 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 53.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide (CID 139362613) is N-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide is NCCNC(=O)c1ccc2c(c1)Sc1cc(C(F)(F)F)cc(NC3CCN(CCN)CC3)c1N2.
What is the InChIKey of N-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide?
The InChIKey is VVRPUFFAGYXGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N6OS/c24-23(25,26)15-12-18(30-16-3-8-32(9-4-16)10-6-28)21-20(13-15)34-19-11-14(1-2-17(19)31-21)22(33)29-7-5-27/h1-2,11-13,16,30-31H,3-10,27-28H2,(H,29,33).
What are the key properties of N-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide?
N-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide has a molecular weight of 494.59 g/mol, XLogP of 3.44, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-9-[[1-(2-aminoethyl)piperidin-4-yl]amino]-7-(trifluoromethyl)-10H-phenothiazine-3-carboxamide is sourced from PubChem (CID 139362613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).