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

C13H16N4OS — CID 81138143

IUPACN-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide
SMILESCc1ccc2[nH]c(=S)n(CCC(=O)NC3CC3)c2n1
InChIInChI=1S/C13H16N4OS/c1-8-2-5-10-12(14-8)17(13(19)16-10)7-6-11(18)15-9-3-4-9/h2,5,9H,3-4,6-7H2,1H3,(H,15,18)(H,16,19)
InChIKeyMAOHHVOMHFCKBT-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.07
Rot. Bonds4

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

N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide (PubChem CID 81138143) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide
PubChem CID81138143
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC NameN-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide
SMILESCc1ccc2[nH]c(=S)n(CCC(=O)NC3CC3)c2n1
InChIInChI=1S/C13H16N4OS/c1-8-2-5-10-12(14-8)17(13(19)16-10)7-6-11(18)15-9-3-4-9/h2,5,9H,3-4,6-7H2,1H3,(H,15,18)(H,16,19)
InChIKeyMAOHHVOMHFCKBT-UHFFFAOYSA-N
XLogP2.07
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.07
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-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide
CID 81138217
3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138142
3-[2-[cyclopentyl(methyl)amino]ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138679
5-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106019587
N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide
CID 79401664
N-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
CID 114134569
N-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
CID 79401776
3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138659
4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-methylcyclohexyl)butanamide
CID 4225067
3-[(4-bromophenyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138348
N-cyclopentyl-3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide
CID 4659924
N-cyclohexyl-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 7614526

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide (CID 81138143) is N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide is Cc1ccc2[nH]c(=S)n(CCC(=O)NC3CC3)c2n1.
What is the InChIKey of N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide?
The InChIKey is MAOHHVOMHFCKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-2-5-10-12(14-8)17(13(19)16-10)7-6-11(18)15-9-3-4-9/h2,5,9H,3-4,6-7H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide?
N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide has a molecular weight of 276.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide is sourced from PubChem (CID 81138143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).