3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide

C17H20N2O2 — CID 25340721

IUPAC3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c1
InChIInChI=1S/C17H20N2O2/c1-11-7-8-18-16(9-11)19-17(20)6-4-13-3-5-15(21-13)14-10-12(14)2/h3,5,7-9,12,14H,4,6,10H2,1-2H3,(H,18,19,20)/t12-,14+/m1/s1
InChIKeyMHKLXZYTKVGURG-OCCSQVGLSA-N
MW284.36 g/mol
LogP3.68
Rot. Bonds5

About 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide

3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 25340721) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID25340721
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c1
InChIInChI=1S/C17H20N2O2/c1-11-7-8-18-16(9-11)19-17(20)6-4-13-3-5-15(21-13)14-10-12(14)2/h3,5,7-9,12,14H,4,6,10H2,1-2H3,(H,18,19,20)/t12-,14+/m1/s1
InChIKeyMHKLXZYTKVGURG-OCCSQVGLSA-N
XLogP3.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide (CID 25340721) is 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccnc(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c1.
What is the InChIKey of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is MHKLXZYTKVGURG-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-7-8-18-16(9-11)19-17(20)6-4-13-3-5-15(21-13)14-10-12(14)2/h3,5,7-9,12,14H,4,6,10H2,1-2H3,(H,18,19,20)/t12-,14+/m1/s1.
What are the key properties of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide?
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 25340721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).