N-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide

C16H20N4O2 — CID 156708452

IUPACN-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide
SMILESCCOc1nc(-c2ccccn2)cn1C(=O)NCCC1CC1
InChIInChI=1S/C16H20N4O2/c1-2-22-16-19-14(13-5-3-4-9-17-13)11-20(16)15(21)18-10-8-12-6-7-12/h3-5,9,11-12H,2,6-8,10H2,1H3,(H,18,21)
InChIKeyFAHNOBLICHHUNA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.70
Rot. Bonds6

About N-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide

N-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide (PubChem CID 156708452) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide
PubChem CID156708452
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide
SMILESCCOc1nc(-c2ccccn2)cn1C(=O)NCCC1CC1
InChIInChI=1S/C16H20N4O2/c1-2-22-16-19-14(13-5-3-4-9-17-13)11-20(16)15(21)18-10-8-12-6-7-12/h3-5,9,11-12H,2,6-8,10H2,1H3,(H,18,21)
InChIKeyFAHNOBLICHHUNA-UHFFFAOYSA-N
XLogP2.70
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide?
The IUPAC name of N-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide (CID 156708452) is N-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide?
The canonical SMILES for N-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide is CCOc1nc(-c2ccccn2)cn1C(=O)NCCC1CC1.
What is the InChIKey of N-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide?
The InChIKey is FAHNOBLICHHUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-22-16-19-14(13-5-3-4-9-17-13)11-20(16)15(21)18-10-8-12-6-7-12/h3-5,9,11-12H,2,6-8,10H2,1H3,(H,18,21).
What are the key properties of N-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide?
N-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-2-ethoxy-4-pyridin-2-ylimidazole-1-carboxamide is sourced from PubChem (CID 156708452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).