N-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide

C18H24N4O2S — CID 83277485

IUPACN-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1CC)CN(C(=O)c1ccc(C)s1)CC2
InChIInChI=1S/C18H24N4O2S/c1-4-17(23)19-10-16-20-13-8-9-21(11-14(13)22(16)5-2)18(24)15-7-6-12(3)25-15/h6-7H,4-5,8-11H2,1-3H3,(H,19,23)
InChIKeyLIVBGYAREMTGJK-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.50
Rot. Bonds5

About N-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide

N-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (PubChem CID 83277485) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
PubChem CID83277485
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1CC)CN(C(=O)c1ccc(C)s1)CC2
InChIInChI=1S/C18H24N4O2S/c1-4-17(23)19-10-16-20-13-8-9-21(11-14(13)22(16)5-2)18(24)15-7-6-12(3)25-15/h6-7H,4-5,8-11H2,1-3H3,(H,19,23)
InChIKeyLIVBGYAREMTGJK-UHFFFAOYSA-N
XLogP2.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The IUPAC name of N-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (CID 83277485) is N-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is CCC(=O)NCc1nc2c(n1CC)CN(C(=O)c1ccc(C)s1)CC2.
What is the InChIKey of N-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The InChIKey is LIVBGYAREMTGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-4-17(23)19-10-16-20-13-8-9-21(11-14(13)22(16)5-2)18(24)15-7-6-12(3)25-15/h6-7H,4-5,8-11H2,1-3H3,(H,19,23).
What are the key properties of N-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
N-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide has a molecular weight of 360.48 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is sourced from PubChem (CID 83277485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).