4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide

C18H21N3O3 — CID 129391193

IUPAC4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide
SMILESNc1ccnc(C(=O)N(Cc2ccccc2)O[C@H]2CCCCO2)c1
InChIInChI=1S/C18H21N3O3/c19-15-9-10-20-16(12-15)18(22)21(13-14-6-2-1-3-7-14)24-17-8-4-5-11-23-17/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2,(H2,19,20)/t17-/m0/s1
InChIKeyTWAGIUNUOIELGM-KRWDZBQOSA-N
MW327.38 g/mol
LogP2.76
Rot. Bonds5

About 4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide

4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide (PubChem CID 129391193) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide
PubChem CID129391193
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide
SMILESNc1ccnc(C(=O)N(Cc2ccccc2)O[C@H]2CCCCO2)c1
InChIInChI=1S/C18H21N3O3/c19-15-9-10-20-16(12-15)18(22)21(13-14-6-2-1-3-7-14)24-17-8-4-5-11-23-17/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2,(H2,19,20)/t17-/m0/s1
InChIKeyTWAGIUNUOIELGM-KRWDZBQOSA-N
XLogP2.76
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide (CID 129391193) is 4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide is Nc1ccnc(C(=O)N(Cc2ccccc2)O[C@H]2CCCCO2)c1.
What is the InChIKey of 4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide?
The InChIKey is TWAGIUNUOIELGM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N3O3/c19-15-9-10-20-16(12-15)18(22)21(13-14-6-2-1-3-7-14)24-17-8-4-5-11-23-17/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2,(H2,19,20)/t17-/m0/s1.
What are the key properties of 4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide?
4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-[(2S)-oxan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 129391193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).