trans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide

C17H16N4O2 — CID 94817860

IUPACtrans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1nccn1-c1ncccc1NC(=O)[C@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C17H16N4O2/c1-11-18-7-8-21(11)16-14(4-2-6-19-16)20-17(22)13-10-12(13)15-5-3-9-23-15/h2-9,12-13H,10H2,1H3,(H,20,22)/t12-,13-/m0/s1
InChIKeyDBRZDXYVOMTRIO-STQMWFEESA-N
MW308.34 g/mol
LogP2.91
Rot. Bonds4

About trans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 94817860) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is trans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
PubChem CID94817860
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Nametrans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1nccn1-c1ncccc1NC(=O)[C@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C17H16N4O2/c1-11-18-7-8-21(11)16-14(4-2-6-19-16)20-17(22)13-10-12(13)15-5-3-9-23-15/h2-9,12-13H,10H2,1H3,(H,20,22)/t12-,13-/m0/s1
InChIKeyDBRZDXYVOMTRIO-STQMWFEESA-N
XLogP2.91
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide (CID 94817860) is trans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide is Cc1nccn1-c1ncccc1NC(=O)[C@H]1C[C@@H]1c1ccco1.
What is the InChIKey of trans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is DBRZDXYVOMTRIO-STQMWFEESA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-18-7-8-21(11)16-14(4-2-6-19-16)20-17(22)13-10-12(13)15-5-3-9-23-15/h2-9,12-13H,10H2,1H3,(H,20,22)/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94817860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).