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

C16H20N4O2S — CID 53191007

IUPACN-[[3-methyl-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1C)CN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C16H20N4O2S/c1-3-15(21)17-8-14-18-12-4-6-20(9-13(12)19(14)2)16(22)11-5-7-23-10-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,17,21)
InChIKeyVLROFDRBWANWLL-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.71
Rot. Bonds4

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

N-[[3-methyl-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (PubChem CID 53191007) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[[3-methyl-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-methyl-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
PubChem CID53191007
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[[3-methyl-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1C)CN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C16H20N4O2S/c1-3-15(21)17-8-14-18-12-4-6-20(9-13(12)19(14)2)16(22)11-5-7-23-10-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,17,21)
InChIKeyVLROFDRBWANWLL-UHFFFAOYSA-N
XLogP1.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The IUPAC name of N-[[3-methyl-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (CID 53191007) is N-[[3-methyl-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[3-methyl-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[3-methyl-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is CCC(=O)NCc1nc2c(n1C)CN(C(=O)c1ccsc1)CC2.
What is the InChIKey of N-[[3-methyl-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The InChIKey is VLROFDRBWANWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-3-15(21)17-8-14-18-12-4-6-20(9-13(12)19(14)2)16(22)11-5-7-23-10-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,17,21).
What are the key properties of N-[[3-methyl-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
N-[[3-methyl-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide has a molecular weight of 332.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is sourced from PubChem (CID 53191007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).