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

C18H22N4O3 — CID 53191027

IUPACN-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)c1ccoc1)CC2
InChIInChI=1S/C18H22N4O3/c1-21-15-10-22(18(24)13-6-8-25-11-13)7-5-14(15)20-16(21)9-19-17(23)12-3-2-4-12/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,19,23)
InChIKeyJULAPUQCVGWAAR-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.63
Rot. Bonds4

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

N-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 53191027) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID53191027
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)c1ccoc1)CC2
InChIInChI=1S/C18H22N4O3/c1-21-15-10-22(18(24)13-6-8-25-11-13)7-5-14(15)20-16(21)9-19-17(23)12-3-2-4-12/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,19,23)
InChIKeyJULAPUQCVGWAAR-UHFFFAOYSA-N
XLogP1.63
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (CID 53191027) is N-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is Cn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)c1ccoc1)CC2.
What is the InChIKey of N-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is JULAPUQCVGWAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21-15-10-22(18(24)13-6-8-25-11-13)7-5-14(15)20-16(21)9-19-17(23)12-3-2-4-12/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,19,23).
What are the key properties of N-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 53191027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).