1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride

C20H26ClN5OS — CID 139346604

IUPAC1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride
SMILESCl.NCCN1CCC(Nc2cc(C(N)=O)cc3c2Nc2ccccc2S3)CC1
InChIInChI=1S/C20H25N5OS.ClH/c21-7-10-25-8-5-14(6-9-25)23-16-11-13(20(22)26)12-18-19(16)24-15-3-1-2-4-17(15)27-18;/h1-4,11-12,14,23-24H,5-10,21H2,(H2,22,26);1H
InChIKeyMLSLIMONJWAAMW-UHFFFAOYSA-N
MW419.98 g/mol
LogP3.25
Rot. Bonds5

About 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride

1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride (PubChem CID 139346604) has the molecular formula C20H26ClN5OS and a molecular weight of 419.98 g/mol. Its IUPAC name is 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride
PubChem CID139346604
Molecular FormulaC20H26ClN5OS
Molecular Weight419.98 g/mol
Exact Mass419.15
IUPAC Name1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride
SMILESCl.NCCN1CCC(Nc2cc(C(N)=O)cc3c2Nc2ccccc2S3)CC1
InChIInChI=1S/C20H25N5OS.ClH/c21-7-10-25-8-5-14(6-9-25)23-16-11-13(20(22)26)12-18-19(16)24-15-3-1-2-4-17(15)27-18;/h1-4,11-12,14,23-24H,5-10,21H2,(H2,22,26);1H
InChIKeyMLSLIMONJWAAMW-UHFFFAOYSA-N
XLogP3.25
TPSA96.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.98
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride?
The IUPAC name of 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride (CID 139346604) is 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride is Cl.NCCN1CCC(Nc2cc(C(N)=O)cc3c2Nc2ccccc2S3)CC1.
What is the InChIKey of 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride?
The InChIKey is MLSLIMONJWAAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS.ClH/c21-7-10-25-8-5-14(6-9-25)23-16-11-13(20(22)26)12-18-19(16)24-15-3-1-2-4-17(15)27-18;/h1-4,11-12,14,23-24H,5-10,21H2,(H2,22,26);1H.
What are the key properties of 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride?
1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride has a molecular weight of 419.98 g/mol, XLogP of 3.25, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 139346604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).