2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide

C16H18N2O4 — CID 97250434

IUPAC2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccnc(O[C@@H]3CCOC3)c2)c(C)o1
InChIInChI=1S/C16H18N2O4/c1-10-7-14(11(2)21-10)16(19)18-12-3-5-17-15(8-12)22-13-4-6-20-9-13/h3,5,7-8,13H,4,6,9H2,1-2H3,(H,17,18,19)/t13-/m1/s1
InChIKeyYDVYRXIUVDLCDJ-CYBMUJFWSA-N
MW302.33 g/mol
LogP2.71
Rot. Bonds4

About 2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide

2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide (PubChem CID 97250434) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide
PubChem CID97250434
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccnc(O[C@@H]3CCOC3)c2)c(C)o1
InChIInChI=1S/C16H18N2O4/c1-10-7-14(11(2)21-10)16(19)18-12-3-5-17-15(8-12)22-13-4-6-20-9-13/h3,5,7-8,13H,4,6,9H2,1-2H3,(H,17,18,19)/t13-/m1/s1
InChIKeyYDVYRXIUVDLCDJ-CYBMUJFWSA-N
XLogP2.71
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide (CID 97250434) is 2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide is Cc1cc(C(=O)Nc2ccnc(O[C@@H]3CCOC3)c2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide?
The InChIKey is YDVYRXIUVDLCDJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-7-14(11(2)21-10)16(19)18-12-3-5-17-15(8-12)22-13-4-6-20-9-13/h3,5,7-8,13H,4,6,9H2,1-2H3,(H,17,18,19)/t13-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide is sourced from PubChem (CID 97250434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).