N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C18H20N4O3S — CID 123524378

IUPACN-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(S(=O)(=O)NC34CCC3C4)c2)ccn1
InChIInChI=1S/C18H20N4O3S/c1-11-16(26(24,25)22-18-5-3-15(18)9-18)7-14(10-20-11)13-4-6-19-17(8-13)21-12(2)23/h4,6-8,10,15,22H,3,5,9H2,1-2H3,(H,19,21,23)
InChIKeyGDIFXJPWKKCJIC-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.24
Rot. Bonds5

About N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 123524378) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID123524378
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(S(=O)(=O)NC34CCC3C4)c2)ccn1
InChIInChI=1S/C18H20N4O3S/c1-11-16(26(24,25)22-18-5-3-15(18)9-18)7-14(10-20-11)13-4-6-19-17(8-13)21-12(2)23/h4,6-8,10,15,22H,3,5,9H2,1-2H3,(H,19,21,23)
InChIKeyGDIFXJPWKKCJIC-UHFFFAOYSA-N
XLogP2.24
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118249294
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562
N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293605
N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
CID 123714762
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293459
N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
CID 158101881
N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293549
N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293464
N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118238035
N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 163420371
N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane
CID 144889303

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 123524378) is N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(S(=O)(=O)NC34CCC3C4)c2)ccn1.
What is the InChIKey of N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is GDIFXJPWKKCJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11-16(26(24,25)22-18-5-3-15(18)9-18)7-14(10-20-11)13-4-6-19-17(8-13)21-12(2)23/h4,6-8,10,15,22H,3,5,9H2,1-2H3,(H,19,21,23).
What are the key properties of N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 123524378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).