N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride

C18H23ClN4O4S — CID 119516414

IUPACN-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
SMILESCl.Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1
InChIInChI=1S/C18H22N4O4S.ClH/c19-17-7-4-15(13-20-17)21-18(23)8-3-14-1-5-16(6-2-14)27(24,25)22-9-11-26-12-10-22;/h1-2,4-7,13H,3,8-12H2,(H2,19,20)(H,21,23);1H
InChIKeyPFZUULITCUOBEY-UHFFFAOYSA-N
MW426.93 g/mol
LogP1.68
Rot. Bonds6

About N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride

N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride (PubChem CID 119516414) has the molecular formula C18H23ClN4O4S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
PubChem CID119516414
Molecular FormulaC18H23ClN4O4S
Molecular Weight426.93 g/mol
Exact Mass426.11
IUPAC NameN-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
SMILESCl.Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1
InChIInChI=1S/C18H22N4O4S.ClH/c19-17-7-4-15(13-20-17)21-18(23)8-3-14-1-5-16(6-2-14)27(24,25)22-9-11-26-12-10-22;/h1-2,4-7,13H,3,8-12H2,(H2,19,20)(H,21,23);1H
InChIKeyPFZUULITCUOBEY-UHFFFAOYSA-N
XLogP1.68
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 119515432
3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide
CID 55879565
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55905013
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55841010
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 119422735
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 2330582
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide
CID 55655217

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride (CID 119516414) is N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride is Cl.Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride?
The InChIKey is PFZUULITCUOBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S.ClH/c19-17-7-4-15(13-20-17)21-18(23)8-3-14-1-5-16(6-2-14)27(24,25)22-9-11-26-12-10-22;/h1-2,4-7,13H,3,8-12H2,(H2,19,20)(H,21,23);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride?
N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride has a molecular weight of 426.93 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119516414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).