6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide

C17H18FN3O3 — CID 91797334

IUPAC6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)cn1
InChIInChI=1S/C17H18FN3O3/c18-12-2-1-3-13(8-12)24-15-6-7-23-10-14(15)21-17(22)11-4-5-16(19)20-9-11/h1-5,8-9,14-15H,6-7,10H2,(H2,19,20)(H,21,22)/t14-,15+/m1/s1
InChIKeyUCNUDRJEDAPYLS-CABCVRRESA-N
MW331.35 g/mol
LogP1.77
Rot. Bonds4

About 6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide

6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide (PubChem CID 91797334) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide
PubChem CID91797334
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)cn1
InChIInChI=1S/C17H18FN3O3/c18-12-2-1-3-13(8-12)24-15-6-7-23-10-14(15)21-17(22)11-4-5-16(19)20-9-11/h1-5,8-9,14-15H,6-7,10H2,(H2,19,20)(H,21,22)/t14-,15+/m1/s1
InChIKeyUCNUDRJEDAPYLS-CABCVRRESA-N
XLogP1.77
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide
CID 91786162
6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91769238
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide
CID 90653237
2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide
CID 91796753
2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 91782920
2-ethyl-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]butanamide
CID 91792235
1-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-propylurea
CID 91774796
2-ethoxy-N-[4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 156609137
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 90653248
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91769787
1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide
CID 91772934
4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide
CID 110157998

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide (CID 91797334) is 6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide is Nc1ccc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)cn1.
What is the InChIKey of 6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide?
The InChIKey is UCNUDRJEDAPYLS-CABCVRRESA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-12-2-1-3-13(8-12)24-15-6-7-23-10-14(15)21-17(22)11-4-5-16(19)20-9-11/h1-5,8-9,14-15H,6-7,10H2,(H2,19,20)(H,21,22)/t14-,15+/m1/s1.
What are the key properties of 6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide?
6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91797334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).