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

C18H18N4O2 — CID 99845704

IUPACcis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESCc1nccn1-c1ncccc1CNC(=O)[C@H]1C[C@H]1c1ccco1
InChIInChI=1S/C18H18N4O2/c1-12-19-7-8-22(12)17-13(4-2-6-20-17)11-21-18(23)15-10-14(15)16-5-3-9-24-16/h2-9,14-15H,10-11H2,1H3,(H,21,23)/t14-,15+/m1/s1
InChIKeyIBXQVXCAAYXMLX-CABCVRRESA-N
MW322.37 g/mol
LogP2.59
Rot. Bonds5

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

cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide (PubChem CID 99845704) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
PubChem CID99845704
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Namecis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESCc1nccn1-c1ncccc1CNC(=O)[C@H]1C[C@H]1c1ccco1
InChIInChI=1S/C18H18N4O2/c1-12-19-7-8-22(12)17-13(4-2-6-20-17)11-21-18(23)15-10-14(15)16-5-3-9-24-16/h2-9,14-15H,10-11H2,1H3,(H,21,23)/t14-,15+/m1/s1
InChIKeyIBXQVXCAAYXMLX-CABCVRRESA-N
XLogP2.59
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,2S)-2-(furan-2-yl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 94817860
2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 71936589
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 154749067
2-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 47466338
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 60565634
cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97081544
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide
CID 139008860
1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 138996652
N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47450071
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86852704
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86852864
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62293470

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide (CID 99845704) is cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide is Cc1nccn1-c1ncccc1CNC(=O)[C@H]1C[C@H]1c1ccco1.
What is the InChIKey of cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is IBXQVXCAAYXMLX-CABCVRRESA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-19-7-8-22(12)17-13(4-2-6-20-17)11-21-18(23)15-10-14(15)16-5-3-9-24-16/h2-9,14-15H,10-11H2,1H3,(H,21,23)/t14-,15+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 99845704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).