4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide

C17H24N2O4 — CID 91787921

IUPAC4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide
SMILESCC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cc(CO)ccn1
InChIInChI=1S/C17H24N2O4/c1-12(2)4-8-23-16-5-7-22-11-15(16)19-17(21)14-9-13(10-20)3-6-18-14/h3-4,6,9,15-16,20H,5,7-8,10-11H2,1-2H3,(H,19,21)/t15-,16+/m1/s1
InChIKeySUNNTIGTROILFV-CVEARBPZSA-N
MW320.39 g/mol
LogP1.44
Rot. Bonds6

About 4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide

4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide (PubChem CID 91787921) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide
PubChem CID91787921
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide
SMILESCC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cc(CO)ccn1
InChIInChI=1S/C17H24N2O4/c1-12(2)4-8-23-16-5-7-22-11-15(16)19-17(21)14-9-13(10-20)3-6-18-14/h3-4,6,9,15-16,20H,5,7-8,10-11H2,1-2H3,(H,19,21)/t15-,16+/m1/s1
InChIKeySUNNTIGTROILFV-CVEARBPZSA-N
XLogP1.44
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-1,3-thiazole-4-carboxamide
CID 91774050
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide
CID 90653237
2-cyclopropyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyrimidine-5-carboxamide
CID 91770487
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 91769067
5-fluoro-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91764511
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91793058
3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]benzamide
CID 91786755
4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide
CID 91797119
2-(1,3-benzodioxol-5-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
CID 91770717
7-methyl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 133268819
4-[(3S,4R)-4-[[4-(hydroxymethyl)pyridine-2-carbonyl]amino]oxan-3-yl]oxybenzoic acid
CID 91774592
2-methyl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-1,3-benzoxazole-6-carboxamide
CID 133267850

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide (CID 91787921) is 4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide is CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cc(CO)ccn1.
What is the InChIKey of 4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide?
The InChIKey is SUNNTIGTROILFV-CVEARBPZSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(2)4-8-23-16-5-7-22-11-15(16)19-17(21)14-9-13(10-20)3-6-18-14/h3-4,6,9,15-16,20H,5,7-8,10-11H2,1-2H3,(H,19,21)/t15-,16+/m1/s1.
What are the key properties of 4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide?
4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 91787921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).