N-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide

C17H22N5O+ — CID 22957510

IUPACN-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide
SMILESCC[n+]1ccccc1/N=N/c1ccc(N(C)C)cc1NC(C)=O
InChIInChI=1S/C17H21N5O/c1-5-22-11-7-6-8-17(22)20-19-15-10-9-14(21(3)4)12-16(15)18-13(2)23/h6-12H,5H2,1-4H3/p+1
InChIKeyGOERJPAMSAOPBW-UHFFFAOYSA-O
MW312.40 g/mol
LogP3.43
Rot. Bonds5

About N-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide

N-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide (PubChem CID 22957510) has the molecular formula C17H22N5O+ and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide
PubChem CID22957510
Molecular FormulaC17H22N5O+
Molecular Weight312.40 g/mol
Exact Mass312.18
IUPAC NameN-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide
SMILESCC[n+]1ccccc1/N=N/c1ccc(N(C)C)cc1NC(C)=O
InChIInChI=1S/C17H21N5O/c1-5-22-11-7-6-8-17(22)20-19-15-10-9-14(21(3)4)12-16(15)18-13(2)23/h6-12H,5H2,1-4H3/p+1
InChIKeyGOERJPAMSAOPBW-UHFFFAOYSA-O
XLogP3.43
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide?
The IUPAC name of N-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide (CID 22957510) is N-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide.
What is the SMILES notation for N-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide?
The canonical SMILES for N-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide is CC[n+]1ccccc1/N=N/c1ccc(N(C)C)cc1NC(C)=O.
What is the InChIKey of N-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide?
The InChIKey is GOERJPAMSAOPBW-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21N5O/c1-5-22-11-7-6-8-17(22)20-19-15-10-9-14(21(3)4)12-16(15)18-13(2)23/h6-12H,5H2,1-4H3/p+1.
What are the key properties of N-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide?
N-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide has a molecular weight of 312.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide is sourced from PubChem (CID 22957510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).