N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide

C19H18N2O4 — CID 121197008

IUPACN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cncc(-c3ccco3)c2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-23-17-6-5-14(9-18(17)24-2)19(22)21-11-13-8-15(12-20-10-13)16-4-3-7-25-16/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeySXPXPRJOPPWXGW-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.29
Rot. Bonds6

About N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide (PubChem CID 121197008) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide
PubChem CID121197008
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cncc(-c3ccco3)c2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-23-17-6-5-14(9-18(17)24-2)19(22)21-11-13-8-15(12-20-10-13)16-4-3-7-25-16/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeySXPXPRJOPPWXGW-UHFFFAOYSA-N
XLogP3.29
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 121196995
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 121197015
1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea
CID 121197252
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
CID 121197182
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 121022690
2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197121
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 42845914
4-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 119105467
2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197010
5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197085
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 121197199

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide (CID 121197008) is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2cncc(-c3ccco3)c2)cc1OC.
What is the InChIKey of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide?
The InChIKey is SXPXPRJOPPWXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-17-6-5-14(9-18(17)24-2)19(22)21-11-13-8-15(12-20-10-13)16-4-3-7-25-16/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide?
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide has a molecular weight of 338.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 121197008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).