N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide

C18H23N3O3 — CID 56704979

IUPACN-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCC2CCCN(Cc3ccco3)C2)ccn1
InChIInChI=1S/C18H23N3O3/c1-23-17-10-15(6-7-19-17)18(22)20-11-14-4-2-8-21(12-14)13-16-5-3-9-24-16/h3,5-7,9-10,14H,2,4,8,11-13H2,1H3,(H,20,22)
InChIKeyBTYIJWNLGWADDL-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.33
Rot. Bonds6

About N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide

N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide (PubChem CID 56704979) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide
PubChem CID56704979
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCC2CCCN(Cc3ccco3)C2)ccn1
InChIInChI=1S/C18H23N3O3/c1-23-17-10-15(6-7-19-17)18(22)20-11-14-4-2-8-21(12-14)13-16-5-3-9-24-16/h3,5-7,9-10,14H,2,4,8,11-13H2,1H3,(H,20,22)
InChIKeyBTYIJWNLGWADDL-UHFFFAOYSA-N
XLogP2.33
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide?
The IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide (CID 56704979) is N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide is COc1cc(C(=O)NCC2CCCN(Cc3ccco3)C2)ccn1.
What is the InChIKey of N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide?
The InChIKey is BTYIJWNLGWADDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-17-10-15(6-7-19-17)18(22)20-11-14-4-2-8-21(12-14)13-16-5-3-9-24-16/h3,5-7,9-10,14H,2,4,8,11-13H2,1H3,(H,20,22).
What are the key properties of N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide?
N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 56704979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).