N-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide

C12H21N5O2 — CID 141179172

IUPACN-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide
SMILESCCN(CC)C[C@@H]1OC=C[C@H](N=[N+]=[N-])[C@H]1NC(C)=O
InChIInChI=1S/C12H21N5O2/c1-4-17(5-2)8-11-12(14-9(3)18)10(15-16-13)6-7-19-11/h6-7,10-12H,4-5,8H2,1-3H3,(H,14,18)/t10-,11-,12+/m0/s1
InChIKeyQMHSXPJSDXDHEJ-SDDRHHMPSA-N
MW267.33 g/mol
LogP1.42
Rot. Bonds6

About N-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide

N-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide (PubChem CID 141179172) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide
PubChem CID141179172
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide
SMILESCCN(CC)C[C@@H]1OC=C[C@H](N=[N+]=[N-])[C@H]1NC(C)=O
InChIInChI=1S/C12H21N5O2/c1-4-17(5-2)8-11-12(14-9(3)18)10(15-16-13)6-7-19-11/h6-7,10-12H,4-5,8H2,1-3H3,(H,14,18)/t10-,11-,12+/m0/s1
InChIKeyQMHSXPJSDXDHEJ-SDDRHHMPSA-N
XLogP1.42
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,3R,4S)-4-amino-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-3-yl]acetamide
CID 141179166
N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide
CID 141179173
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide
CID 62064201
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylpropanamide
CID 62064202
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
CID 62064401
2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 62064559
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide
CID 62064719
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide
CID 62064760
N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide
CID 62064884
N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
CID 62065283
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propan-2-ylacetamide
CID 62066907
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone
CID 62066929

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide (CID 141179172) is N-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide is CCN(CC)C[C@@H]1OC=C[C@H](N=[N+]=[N-])[C@H]1NC(C)=O.
What is the InChIKey of N-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide?
The InChIKey is QMHSXPJSDXDHEJ-SDDRHHMPSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-17(5-2)8-11-12(14-9(3)18)10(15-16-13)6-7-19-11/h6-7,10-12H,4-5,8H2,1-3H3,(H,14,18)/t10-,11-,12+/m0/s1.
What are the key properties of N-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide?
N-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide has a molecular weight of 267.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4S)-4-azido-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide is sourced from PubChem (CID 141179172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).