N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride

C19H27ClN4O3S — CID 119516505

IUPACN-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(N)nc2)c(C)c1C.Cl
InChIInChI=1S/C19H26N4O3S.ClH/c1-11-12(2)14(4)19(15(5)13(11)3)27(25,26)22-9-8-18(24)23-16-6-7-17(20)21-10-16;/h6-7,10,22H,8-9H2,1-5H3,(H2,20,21)(H,23,24);1H
InChIKeyAYHDMNULUVBJPJ-UHFFFAOYSA-N
MW426.97 g/mol
LogP2.93
Rot. Bonds6

About N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride

N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119516505) has the molecular formula C19H27ClN4O3S and a molecular weight of 426.97 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride
PubChem CID119516505
Molecular FormulaC19H27ClN4O3S
Molecular Weight426.97 g/mol
Exact Mass426.15
IUPAC NameN-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(N)nc2)c(C)c1C.Cl
InChIInChI=1S/C19H26N4O3S.ClH/c1-11-12(2)14(4)19(15(5)13(11)3)27(25,26)22-9-8-18(24)23-16-6-7-17(20)21-10-16;/h6-7,10,22H,8-9H2,1-5H3,(H2,20,21)(H,23,24);1H
InChIKeyAYHDMNULUVBJPJ-UHFFFAOYSA-N
XLogP2.93
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 43052309
4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441797
N-(6-amino-3-pyridinyl)-3-ethoxypropanamide;hydrochloride
CID 119515208
N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 119516033
N-(6-amino-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 62901141
N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
CID 119515101
N-(6-methoxy-3-pyridinyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 8892342
N-(6-amino-3-pyridinyl)-3,5-dimethylhexanamide;hydrochloride
CID 119516110
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
N-(6-amino-3-pyridinyl)-N',N'-diethylbutanediamide
CID 119516391
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 55712283
N-(6-amino-3-pyridinyl)-N',N'-diethylpentanediamide;hydrochloride
CID 119515259

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride (CID 119516505) is N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride is Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(N)nc2)c(C)c1C.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is AYHDMNULUVBJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S.ClH/c1-11-12(2)14(4)19(15(5)13(11)3)27(25,26)22-9-8-18(24)23-16-6-7-17(20)21-10-16;/h6-7,10,22H,8-9H2,1-5H3,(H2,20,21)(H,23,24);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride?
N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 426.97 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119516505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).