(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide

C18H22N4O3 — CID 161064892

IUPAC(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCOc2cccnc21.N[C@H]1CCOc2cccnc21
InChIInChI=1S/C10H12N2O2.C8H10N2O/c1-7(13)12-8-4-6-14-9-3-2-5-11-10(8)9;9-6-3-5-11-7-2-1-4-10-8(6)7/h2-3,5,8H,4,6H2,1H3,(H,12,13);1-2,4,6H,3,5,9H2/t8-;6-/m10/s1
InChIKeyUDWSNMVSSDQJIF-ZZVRSVNDSA-N
MW342.40 g/mol
LogP1.91
Rot. Bonds1

About (4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide

(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide (PubChem CID 161064892) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide.

Molecular Properties

Compound Name(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide
PubChem CID161064892
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCOc2cccnc21.N[C@H]1CCOc2cccnc21
InChIInChI=1S/C10H12N2O2.C8H10N2O/c1-7(13)12-8-4-6-14-9-3-2-5-11-10(8)9;9-6-3-5-11-7-2-1-4-10-8(6)7/h2-3,5,8H,4,6H2,1H3,(H,12,13);1-2,4,6H,3,5,9H2/t8-;6-/m10/s1
InChIKeyUDWSNMVSSDQJIF-ZZVRSVNDSA-N
XLogP1.91
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide?
The IUPAC name of (4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide (CID 161064892) is (4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide.
What is the SMILES notation for (4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide?
The canonical SMILES for (4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide is CC(=O)N[C@@H]1CCOc2cccnc21.N[C@H]1CCOc2cccnc21.
What is the InChIKey of (4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide?
The InChIKey is UDWSNMVSSDQJIF-ZZVRSVNDSA-N. The full InChI is InChI=1S/C10H12N2O2.C8H10N2O/c1-7(13)12-8-4-6-14-9-3-2-5-11-10(8)9;9-6-3-5-11-7-2-1-4-10-8(6)7/h2-3,5,8H,4,6H2,1H3,(H,12,13);1-2,4,6H,3,5,9H2/t8-;6-/m10/s1.
What are the key properties of (4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide?
(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide is sourced from PubChem (CID 161064892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).