N-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide

C16H18N4O2 — CID 166481098

IUPACN-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESO=C(NC12CCCC1OCC2)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C16H18N4O2/c21-15(19-16-4-1-2-13(16)22-9-5-16)12-3-6-18-14(10-12)20-8-7-17-11-20/h3,6-8,10-11,13H,1-2,4-5,9H2,(H,19,21)
InChIKeyBSADLVKGTYYBFM-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.71
Rot. Bonds3

About N-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide

N-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 166481098) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID166481098
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESO=C(NC12CCCC1OCC2)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C16H18N4O2/c21-15(19-16-4-1-2-13(16)22-9-5-16)12-3-6-18-14(10-12)20-8-7-17-11-20/h3,6-8,10-11,13H,1-2,4-5,9H2,(H,19,21)
InChIKeyBSADLVKGTYYBFM-UHFFFAOYSA-N
XLogP1.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide (CID 166481098) is N-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide is O=C(NC12CCCC1OCC2)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of N-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is BSADLVKGTYYBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15(19-16-4-1-2-13(16)22-9-5-16)12-3-6-18-14(10-12)20-8-7-17-11-20/h3,6-8,10-11,13H,1-2,4-5,9H2,(H,19,21).
What are the key properties of N-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
N-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 166481098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).