2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide

C17H16N4O2 — CID 71936589

IUPAC2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1-n1ccnc1)C1CC1c1ccco1
InChIInChI=1S/C17H16N4O2/c22-17(14-9-13(14)15-4-2-8-23-15)20-10-12-3-1-5-19-16(12)21-7-6-18-11-21/h1-8,11,13-14H,9-10H2,(H,20,22)
InChIKeyCFSYPEOAVXGLDB-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.28
Rot. Bonds5

About 2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide

2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide (PubChem CID 71936589) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
PubChem CID71936589
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1-n1ccnc1)C1CC1c1ccco1
InChIInChI=1S/C17H16N4O2/c22-17(14-9-13(14)15-4-2-8-23-15)20-10-12-3-1-5-19-16(12)21-7-6-18-11-21/h1-8,11,13-14H,9-10H2,(H,20,22)
InChIKeyCFSYPEOAVXGLDB-UHFFFAOYSA-N
XLogP2.28
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide (CID 71936589) is 2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide is O=C(NCc1cccnc1-n1ccnc1)C1CC1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is CFSYPEOAVXGLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(14-9-13(14)15-4-2-8-23-15)20-10-12-3-1-5-19-16(12)21-7-6-18-11-21/h1-8,11,13-14H,9-10H2,(H,20,22).
What are the key properties of 2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71936589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).