N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide

C22H28N2O5 — CID 170511810

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C22H28N2O5/c1-15-13-19(16-6-11-27-12-7-16)29-22(26)20(15)21(25)23-14-17(18-5-4-10-28-18)24-8-2-3-9-24/h4-5,10,13,16-17H,2-3,6-9,11-12,14H2,1H3,(H,23,25)
InChIKeyVOOPKGBUPGFOSY-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide (PubChem CID 170511810) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
PubChem CID170511810
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C22H28N2O5/c1-15-13-19(16-6-11-27-12-7-16)29-22(26)20(15)21(25)23-14-17(18-5-4-10-28-18)24-8-2-3-9-24/h4-5,10,13,16-17H,2-3,6-9,11-12,14H2,1H3,(H,23,25)
InChIKeyVOOPKGBUPGFOSY-UHFFFAOYSA-N
XLogP3.00
TPSA84.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 95130289
5-cyclopropyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 95130287
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 43843785
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 131920266
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
4-methyl-6-(oxan-4-yl)-2-oxo-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyran-3-carboxamide
CID 170513109
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94017504
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide
CID 170509325
1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94017525
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide (CID 170511810) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide is Cc1cc(C2CCOCC2)oc(=O)c1C(=O)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The InChIKey is VOOPKGBUPGFOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-15-13-19(16-6-11-27-12-7-16)29-22(26)20(15)21(25)23-14-17(18-5-4-10-28-18)24-8-2-3-9-24/h4-5,10,13,16-17H,2-3,6-9,11-12,14H2,1H3,(H,23,25).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170511810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).