N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C18H25N5O3S — CID 118237846

IUPACN-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(N3CC(N(C)C)CS3(O)O)c2)ccn1
InChIInChI=1S/C18H25N5O3S/c1-12-17(23-10-16(22(3)4)11-27(23,25)26)7-15(9-20-12)14-5-6-19-18(8-14)21-13(2)24/h5-9,16,25-26H,10-11H2,1-4H3,(H,19,21,24)
InChIKeyPLUODIDIBXALJG-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.83
Rot. Bonds4

About N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118237846) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118237846
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(N3CC(N(C)C)CS3(O)O)c2)ccn1
InChIInChI=1S/C18H25N5O3S/c1-12-17(23-10-16(22(3)4)11-27(23,25)26)7-15(9-20-12)14-5-6-19-18(8-14)21-13(2)24/h5-9,16,25-26H,10-11H2,1-4H3,(H,19,21,24)
InChIKeyPLUODIDIBXALJG-UHFFFAOYSA-N
XLogP2.83
TPSA101.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562
N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293552
N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
CID 118249007
N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293459
4-(dimethylamino)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-1-carboxamide
CID 167854454
N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 166785667
N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118238365
N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
CID 158101881
N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 123524378
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
N-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide
CID 123552985

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 118237846) is N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(N3CC(N(C)C)CS3(O)O)c2)ccn1.
What is the InChIKey of N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is PLUODIDIBXALJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-12-17(23-10-16(22(3)4)11-27(23,25)26)7-15(9-20-12)14-5-6-19-18(8-14)21-13(2)24/h5-9,16,25-26H,10-11H2,1-4H3,(H,19,21,24).
What are the key properties of N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 391.50 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118237846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).