N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C17H22N2O4 — CID 96570417

IUPACN-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC[C@](C)(O)c2cc(C)oc2C)c(=O)[nH]1
InChIInChI=1S/C17H22N2O4/c1-9-6-10(2)19-16(21)14(9)15(20)18-8-17(5,22)13-7-11(3)23-12(13)4/h6-7,22H,8H2,1-5H3,(H,18,20)(H,19,21)/t17-/m0/s1
InChIKeyOTNHHOMVVCSYSP-KRWDZBQOSA-N
MW318.37 g/mol
LogP1.84
Rot. Bonds4

About N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 96570417) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID96570417
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC[C@](C)(O)c2cc(C)oc2C)c(=O)[nH]1
InChIInChI=1S/C17H22N2O4/c1-9-6-10(2)19-16(21)14(9)15(20)18-8-17(5,22)13-7-11(3)23-12(13)4/h6-7,22H,8H2,1-5H3,(H,18,20)(H,19,21)/t17-/m0/s1
InChIKeyOTNHHOMVVCSYSP-KRWDZBQOSA-N
XLogP1.84
TPSA95.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 96570417) is N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NC[C@](C)(O)c2cc(C)oc2C)c(=O)[nH]1.
What is the InChIKey of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OTNHHOMVVCSYSP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-9-6-10(2)19-16(21)14(9)15(20)18-8-17(5,22)13-7-11(3)23-12(13)4/h6-7,22H,8H2,1-5H3,(H,18,20)(H,19,21)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 96570417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).