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

C19H30N4O2 — CID 53191033

IUPACN-[[5-(2-ethylbutanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCCC(CC)C(=O)N1CCc2nc(CNC(=O)C3CCC3)n(C)c2C1
InChIInChI=1S/C19H30N4O2/c1-4-13(5-2)19(25)23-10-9-15-16(12-23)22(3)17(21-15)11-20-18(24)14-7-6-8-14/h13-14H,4-12H2,1-3H3,(H,20,24)
InChIKeyMZBGYHMPHHRIMX-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.16
Rot. Bonds6

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

N-[[5-(2-ethylbutanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 53191033) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[[5-(2-ethylbutanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-(2-ethylbutanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID53191033
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[[5-(2-ethylbutanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCCC(CC)C(=O)N1CCc2nc(CNC(=O)C3CCC3)n(C)c2C1
InChIInChI=1S/C19H30N4O2/c1-4-13(5-2)19(25)23-10-9-15-16(12-23)22(3)17(21-15)11-20-18(24)14-7-6-8-14/h13-14H,4-12H2,1-3H3,(H,20,24)
InChIKeyMZBGYHMPHHRIMX-UHFFFAOYSA-N
XLogP2.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2-ethylbutanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethylbutanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-(2-ethylbutanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (CID 53191033) is N-[[5-(2-ethylbutanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-(2-ethylbutanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-(2-ethylbutanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is CCC(CC)C(=O)N1CCc2nc(CNC(=O)C3CCC3)n(C)c2C1.
What is the InChIKey of N-[[5-(2-ethylbutanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is MZBGYHMPHHRIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-13(5-2)19(25)23-10-9-15-16(12-23)22(3)17(21-15)11-20-18(24)14-7-6-8-14/h13-14H,4-12H2,1-3H3,(H,20,24).
What are the key properties of N-[[5-(2-ethylbutanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-(2-ethylbutanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethylbutanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 53191033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).