N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride

C17H20ClN3O3S — CID 119515659

IUPACN-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
SMILESCl.Nc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C17H19N3O3S.ClH/c18-16-7-5-14(11-19-16)20-17(21)8-9-24(22,23)15-6-4-12-2-1-3-13(12)10-15;/h4-7,10-11H,1-3,8-9H2,(H2,18,19)(H,20,21);1H
InChIKeyXFBXKQKFOJXOKE-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.38
Rot. Bonds5

About N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride

N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride (PubChem CID 119515659) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
PubChem CID119515659
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
SMILESCl.Nc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C17H19N3O3S.ClH/c18-16-7-5-14(11-19-16)20-17(21)8-9-24(22,23)15-6-4-12-2-1-3-13(12)10-15;/h4-7,10-11H,1-3,8-9H2,(H2,18,19)(H,20,21);1H
InChIKeyXFBXKQKFOJXOKE-UHFFFAOYSA-N
XLogP2.38
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
CID 119515209
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 55685937
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide
CID 71938729
N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 119618457
N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
CID 47160249
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 119406690
N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 120507153
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
CID 55891636
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide
CID 52723374
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55798765
N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119602669

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride (CID 119515659) is N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride is Cl.Nc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride?
The InChIKey is XFBXKQKFOJXOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S.ClH/c18-16-7-5-14(11-19-16)20-17(21)8-9-24(22,23)15-6-4-12-2-1-3-13(12)10-15;/h4-7,10-11H,1-3,8-9H2,(H2,18,19)(H,20,21);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride?
N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride has a molecular weight of 381.89 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride is sourced from PubChem (CID 119515659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).