N-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide

C14H18N4OS — CID 81138217

IUPACN-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide
SMILESCc1ccc2[nH]c(=S)n(CCCC(=O)NC3CC3)c2n1
InChIInChI=1S/C14H18N4OS/c1-9-4-7-11-13(15-9)18(14(20)17-11)8-2-3-12(19)16-10-5-6-10/h4,7,10H,2-3,5-6,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyIHNBUAOAWACEIG-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.46
Rot. Bonds5

About N-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide

N-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide (PubChem CID 81138217) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide
PubChem CID81138217
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide
SMILESCc1ccc2[nH]c(=S)n(CCCC(=O)NC3CC3)c2n1
InChIInChI=1S/C14H18N4OS/c1-9-4-7-11-13(15-9)18(14(20)17-11)8-2-3-12(19)16-10-5-6-10/h4,7,10H,2-3,5-6,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyIHNBUAOAWACEIG-UHFFFAOYSA-N
XLogP2.46
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide
CID 81138143
4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-methylcyclohexyl)butanamide
CID 4225067
3-[2-[cyclopentyl(methyl)amino]ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138679
N-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide
CID 79377062
ethyl 4-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]piperidine-1-carboxylate
CID 24553986
3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138142
5-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106019587
5-methyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138282
N-[2-(cyclopropylamino)-2-oxoethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 18163866
N-cyclopropyl-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide
CID 4306780
N-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
CID 114134569
4-[2-(1-chloroethyl)benzimidazol-1-yl]-N-cyclopropylbutanamide
CID 79377840

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide?
The IUPAC name of N-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide (CID 81138217) is N-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide?
The canonical SMILES for N-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide is Cc1ccc2[nH]c(=S)n(CCCC(=O)NC3CC3)c2n1.
What is the InChIKey of N-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide?
The InChIKey is IHNBUAOAWACEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-4-7-11-13(15-9)18(14(20)17-11)8-2-3-12(19)16-10-5-6-10/h4,7,10H,2-3,5-6,8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide?
N-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide has a molecular weight of 290.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide is sourced from PubChem (CID 81138217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).