N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

C20H25N3O2 — CID 86852864

IUPACN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(N2CCCCCC2)nc1)C1CC1c1ccco1
InChIInChI=1S/C20H25N3O2/c24-20(17-12-16(17)18-6-5-11-25-18)22-14-15-7-8-19(21-13-15)23-9-3-1-2-4-10-23/h5-8,11,13,16-17H,1-4,9-10,12,14H2,(H,22,24)
InChIKeyXUJPJSLHTUTWJF-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.47
Rot. Bonds5

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 86852864) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID86852864
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(N2CCCCCC2)nc1)C1CC1c1ccco1
InChIInChI=1S/C20H25N3O2/c24-20(17-12-16(17)18-6-5-11-25-18)22-14-15-7-8-19(21-13-15)23-9-3-1-2-4-10-23/h5-8,11,13,16-17H,1-4,9-10,12,14H2,(H,22,24)
InChIKeyXUJPJSLHTUTWJF-UHFFFAOYSA-N
XLogP3.47
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 119846498
cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 97204314
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
(3S)-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94197913
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 71842552
cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 97011479
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119846500
1-(furan-2-carbonyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 18139630
(2R,3S)-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938955
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620
1-hydroxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 110907185

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 86852864) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is O=C(NCc1ccc(N2CCCCCC2)nc1)C1CC1c1ccco1.
What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is XUJPJSLHTUTWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20(17-12-16(17)18-6-5-11-25-18)22-14-15-7-8-19(21-13-15)23-9-3-1-2-4-10-23/h5-8,11,13,16-17H,1-4,9-10,12,14H2,(H,22,24).
What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86852864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).