2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide

C17H20N2O4 — CID 138053912

IUPAC2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1(CCO)CCOCC1)c1ccnc(-c2ccco2)c1
InChIInChI=1S/C17H20N2O4/c20-8-4-17(5-10-22-11-6-17)19-16(21)13-3-7-18-14(12-13)15-2-1-9-23-15/h1-3,7,9,12,20H,4-6,8,10-11H2,(H,19,21)
InChIKeyMAYYCYFZMFRKSU-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.00
Rot. Bonds5

About 2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide

2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide (PubChem CID 138053912) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide
PubChem CID138053912
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1(CCO)CCOCC1)c1ccnc(-c2ccco2)c1
InChIInChI=1S/C17H20N2O4/c20-8-4-17(5-10-22-11-6-17)19-16(21)13-3-7-18-14(12-13)15-2-1-9-23-15/h1-3,7,9,12,20H,4-6,8,10-11H2,(H,19,21)
InChIKeyMAYYCYFZMFRKSU-UHFFFAOYSA-N
XLogP2.00
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide
CID 138026885
2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 103954232
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide
CID 106297402
N-[4-(chloromethyl)oxan-4-yl]-3-iodobenzamide
CID 106300481
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106297118
N-[4-(bromomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106304718
2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid
CID 119214756
N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide
CID 104630575
N-cyclopropyl-2-(furan-2-yl)-N-(oxetan-3-yl)pyridine-4-carboxamide
CID 138023621
4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 104630550

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide (CID 138053912) is 2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide is O=C(NC1(CCO)CCOCC1)c1ccnc(-c2ccco2)c1.
What is the InChIKey of 2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide?
The InChIKey is MAYYCYFZMFRKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-8-4-17(5-10-22-11-6-17)19-16(21)13-3-7-18-14(12-13)15-2-1-9-23-15/h1-3,7,9,12,20H,4-6,8,10-11H2,(H,19,21).
What are the key properties of 2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide?
2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[4-(2-hydroxyethyl)oxan-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138053912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).