N-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

C16H19N3O3S — CID 24687957

IUPACN-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCSCCC(NC(=O)c1ccco1)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C16H19N3O3S/c1-11-5-6-14(17-10-11)19-15(20)12(7-9-23-2)18-16(21)13-4-3-8-22-13/h3-6,8,10,12H,7,9H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyVAQAYKQFKHSBSV-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.47
Rot. Bonds7

About N-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 24687957) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID24687957
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCSCCC(NC(=O)c1ccco1)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C16H19N3O3S/c1-11-5-6-14(17-10-11)19-15(20)12(7-9-23-2)18-16(21)13-4-3-8-22-13/h3-6,8,10,12H,7,9H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyVAQAYKQFKHSBSV-UHFFFAOYSA-N
XLogP2.47
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Furan-2-carboxylic acid (6-butyrylamino-4-methyl-pyridin-3-yl)-amide
CID 1452773
N-[5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]-2-furancarboxamide
CID 1452801
Furan-2-carboxylic acid [5-(2-fluoro-benzoylamino)-pyridin-2-yl]-amide
CID 1452813
Furan-2-carboxylic acid [5-(3-fluoro-benzoylamino)-pyridin-2-yl]-amide
CID 1452814
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2096277
2-[4-(2-Furylcarbonyl)piperazino]nicotinonitrile
CID 2812129
N-(2-furylmethyl)-N'-(3-methyl-2-pyridinyl)thiourea
CID 2981748
N-[6-(pentanoylamino)pyridin-3-yl]furan-2-carboxamide
CID 3213149
N-[(1Z)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 6996550
(S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)furan-2-carboxamide
CID 7710507
N-(3-methyl-2-pyridinyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24239957
N-(5-methyl-2-pyridinyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24243657

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 24687957) is N-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is CSCCC(NC(=O)c1ccco1)C(=O)Nc1ccc(C)cn1.
What is the InChIKey of N-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is VAQAYKQFKHSBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-5-6-14(17-10-11)19-15(20)12(7-9-23-2)18-16(21)13-4-3-8-22-13/h3-6,8,10,12H,7,9H2,1-2H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-methyl-2-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 24687957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).