1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C11H16N4O2 — CID 175878007

IUPAC1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCn1c(C(N)=O)nc2c1CCN(C1COC1)C2
InChIInChI=1S/C11H16N4O2/c1-14-9-2-3-15(7-5-17-6-7)4-8(9)13-11(14)10(12)16/h7H,2-6H2,1H3,(H2,12,16)
InChIKeyMXCPOQVZXXYHCK-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.72
Rot. Bonds2

About 1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 175878007) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
PubChem CID175878007
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCn1c(C(N)=O)nc2c1CCN(C1COC1)C2
InChIInChI=1S/C11H16N4O2/c1-14-9-2-3-15(7-5-17-6-7)4-8(9)13-11(14)10(12)16/h7H,2-6H2,1H3,(H2,12,16)
InChIKeyMXCPOQVZXXYHCK-UHFFFAOYSA-N
XLogP-0.72
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of 1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 175878007) is 1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for 1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for 1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is Cn1c(C(N)=O)nc2c1CCN(C1COC1)C2.
What is the InChIKey of 1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is MXCPOQVZXXYHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14-9-2-3-15(7-5-17-6-7)4-8(9)13-11(14)10(12)16/h7H,2-6H2,1H3,(H2,12,16).
What are the key properties of 1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 175878007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).