[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate

C19H20N2O4 — CID 7874481

IUPAC[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(OCC(=O)N(Cc1ccco1)C1=CCCCC1)c1ccccn1
InChIInChI=1S/C19H20N2O4/c22-18(14-25-19(23)17-10-4-5-11-20-17)21(13-16-9-6-12-24-16)15-7-2-1-3-8-15/h4-7,9-12H,1-3,8,13-14H2
InChIKeyPCULAZABBJEVQA-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.32
Rot. Bonds6

About [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate

[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 7874481) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate
PubChem CID7874481
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(OCC(=O)N(Cc1ccco1)C1=CCCCC1)c1ccccn1
InChIInChI=1S/C19H20N2O4/c22-18(14-25-19(23)17-10-4-5-11-20-17)21(13-16-9-6-12-24-16)15-7-2-1-3-8-15/h4-7,9-12H,1-3,8,13-14H2
InChIKeyPCULAZABBJEVQA-UHFFFAOYSA-N
XLogP3.32
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7488731
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7887046
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 7628919
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7488794
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7627445
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7489412
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60561758
2-(4-cyano-2-methoxyphenoxy)-N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 7489313
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 55561733
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55378785
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 7628963
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 55379270

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate (CID 7874481) is [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate is O=C(OCC(=O)N(Cc1ccco1)C1=CCCCC1)c1ccccn1.
What is the InChIKey of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is PCULAZABBJEVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(14-25-19(23)17-10-4-5-11-20-17)21(13-16-9-6-12-24-16)15-7-2-1-3-8-15/h4-7,9-12H,1-3,8,13-14H2.
What are the key properties of [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate?
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 7874481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).