N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide

C15H20N2O2 — CID 139007117

IUPACN-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC23CCCC3)cn1
InChIInChI=1S/C15H20N2O2/c1-19-13-5-4-11(9-16-13)10-17-14(18)12-8-15(12)6-2-3-7-15/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,17,18)
InChIKeyKQRSKXQRQCTUSR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.29
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide

N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide (PubChem CID 139007117) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide
PubChem CID139007117
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC23CCCC3)cn1
InChIInChI=1S/C15H20N2O2/c1-19-13-5-4-11(9-16-13)10-17-14(18)12-8-15(12)6-2-3-7-15/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,17,18)
InChIKeyKQRSKXQRQCTUSR-UHFFFAOYSA-N
XLogP2.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide
CID 139007140
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 82239647
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 42930455
2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60940395
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267416
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide
CID 62993835
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 103872581
1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol
CID 114936941
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 62992130

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide (CID 139007117) is N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide is COc1ccc(CNC(=O)C2CC23CCCC3)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide?
The InChIKey is KQRSKXQRQCTUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-13-5-4-11(9-16-13)10-17-14(18)12-8-15(12)6-2-3-7-15/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,17,18).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide?
N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 139007117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).