N-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide

C22H34N4O4S — CID 161489822

IUPACN-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide
SMILESC.C.C.O=CNCc1cccnc1.O=CNCc1ccco1.O=CNCc1cccs1
InChIInChI=1S/C7H8N2O.C6H7NO2.C6H7NOS.3CH4/c10-6-9-5-7-2-1-3-8-4-7;2*8-5-7-4-6-2-1-3-9-6;;;/h1-4,6H,5H2,(H,9,10);2*1-3,5H,4H2,(H,7,8);3*1H4
InChIKeyWFLONBTYESGWHN-UHFFFAOYSA-N
MW450.61 g/mol
LogP3.76
Rot. Bonds9

About N-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide

N-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide (PubChem CID 161489822) has the molecular formula C22H34N4O4S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide
PubChem CID161489822
Molecular FormulaC22H34N4O4S
Molecular Weight450.61 g/mol
Exact Mass450.23
IUPAC NameN-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide
SMILESC.C.C.O=CNCc1cccnc1.O=CNCc1ccco1.O=CNCc1cccs1
InChIInChI=1S/C7H8N2O.C6H7NO2.C6H7NOS.3CH4/c10-6-9-5-7-2-1-3-8-4-7;2*8-5-7-4-6-2-1-3-9-6;;;/h1-4,6H,5H2,(H,9,10);2*1-3,5H,4H2,(H,7,8);3*1H4
InChIKeyWFLONBTYESGWHN-UHFFFAOYSA-N
XLogP3.76
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
2-(2-Furoylamino)-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1033230
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-furan-2-yl-methyl)-pyridin-3-yl-carbamoyl]-methyl}-amide
CID 649544
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
3-(2-Furylmethyl)-5-(3-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1372564
3-(2-Furylmethyl)-2-(4-pyridinyl)-1,3-thiazolidin-4-one
CID 2999932
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3210865
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211119
fur-2-oyl-Gly-DL-N(pyrid-3-yl)Gly(thien-2-yl)-NHcPent
CID 3211413
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211640
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211832
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211853

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide?
The IUPAC name of N-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide (CID 161489822) is N-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide.
What is the SMILES notation for N-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide?
The canonical SMILES for N-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide is C.C.C.O=CNCc1cccnc1.O=CNCc1ccco1.O=CNCc1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide?
The InChIKey is WFLONBTYESGWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C6H7NO2.C6H7NOS.3CH4/c10-6-9-5-7-2-1-3-8-4-7;2*8-5-7-4-6-2-1-3-9-6;;;/h1-4,6H,5H2,(H,9,10);2*1-3,5H,4H2,(H,7,8);3*1H4.
What are the key properties of N-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide?
N-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide has a molecular weight of 450.61 g/mol, XLogP of 3.76, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)formamide;methane;N-(pyridin-3-ylmethyl)formamide;N-(thiophen-2-ylmethyl)formamide is sourced from PubChem (CID 161489822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).