acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide

C50H67BrN10O8 — CID 159833463

IUPACacetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(=O)c1cc(Br)cnc1N.CC(=O)c1cccnc1N.CC(=O)c1cccnc1NC(=O)C(C)(C)C.CC(C)(C)C(=O)Nc1ccccn1.CC(O)c1cccnc1NC(=O)C(C)(C)C.CC=O
InChIInChI=1S/C12H18N2O2.C12H16N2O2.C10H14N2O.C7H7BrN2O.C7H8N2O.C2H4O/c2*1-8(15)9-6-5-7-13-10(9)14-11(16)12(2,3)4;1-10(2,3)9(13)12-8-6-4-5-7-11-8;1-4(11)6-2-5(8)3-10-7(6)9;1-5(10)6-3-2-4-9-7(6)8;1-2-3/h5-8,15H,1-4H3,(H,13,14,16);5-7H,1-4H3,(H,13,14,16);4-7H,1-3H3,(H,11,12,13);2-3H,1H3,(H2,9,10);2-4H,1H3,(H2,8,9);2H,1H3
InChIKeyNNTCKRIPZKDNGK-UHFFFAOYSA-N
MW1016.05 g/mol
LogP9.15
Rot. Bonds7

About acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide

acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 159833463) has the molecular formula C50H67BrN10O8 and a molecular weight of 1016.05 g/mol. Its IUPAC name is acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Nameacetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID159833463
Molecular FormulaC50H67BrN10O8
Molecular Weight1016.05 g/mol
Exact Mass1014.43
IUPAC Nameacetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(=O)c1cc(Br)cnc1N.CC(=O)c1cccnc1N.CC(=O)c1cccnc1NC(=O)C(C)(C)C.CC(C)(C)C(=O)Nc1ccccn1.CC(O)c1cccnc1NC(=O)C(C)(C)C.CC=O
InChIInChI=1S/C12H18N2O2.C12H16N2O2.C10H14N2O.C7H7BrN2O.C7H8N2O.C2H4O/c2*1-8(15)9-6-5-7-13-10(9)14-11(16)12(2,3)4;1-10(2,3)9(13)12-8-6-4-5-7-11-8;1-4(11)6-2-5(8)3-10-7(6)9;1-5(10)6-3-2-4-9-7(6)8;1-2-3/h5-8,15H,1-4H3,(H,13,14,16);5-7H,1-4H3,(H,13,14,16);4-7H,1-3H3,(H,11,12,13);2-3H,1H3,(H2,9,10);2-4H,1H3,(H2,8,9);2H,1H3
InChIKeyNNTCKRIPZKDNGK-UHFFFAOYSA-N
XLogP9.15
TPSA292.30 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001016.05
LogP ≤ 59.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide (CID 159833463) is acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide is CC(=O)c1cc(Br)cnc1N.CC(=O)c1cccnc1N.CC(=O)c1cccnc1NC(=O)C(C)(C)C.CC(C)(C)C(=O)Nc1ccccn1.CC(O)c1cccnc1NC(=O)C(C)(C)C.CC=O.
What is the InChIKey of acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is NNTCKRIPZKDNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.C12H16N2O2.C10H14N2O.C7H7BrN2O.C7H8N2O.C2H4O/c2*1-8(15)9-6-5-7-13-10(9)14-11(16)12(2,3)4;1-10(2,3)9(13)12-8-6-4-5-7-11-8;1-4(11)6-2-5(8)3-10-7(6)9;1-5(10)6-3-2-4-9-7(6)8;1-2-3/h5-8,15H,1-4H3,(H,13,14,16);5-7H,1-4H3,(H,13,14,16);4-7H,1-3H3,(H,11,12,13);2-3H,1H3,(H2,9,10);2-4H,1H3,(H2,8,9);2H,1H3.
What are the key properties of acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 1016.05 g/mol, XLogP of 9.15, 7 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;2,2-dimethyl-N-pyridin-2-ylpropanamide;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 159833463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).