acetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide

C22H28ClN9O7 — CID 161074739

IUPACacetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide
SMILESC.CC(=O)Cl.CC(=O)Nc1ccc(N)cn1.CC(=O)Nc1ccc([N+](=O)[O-])cn1.Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C7H7N3O3.C7H9N3O.C5H5N3O2.C2H3ClO.CH4/c1-5(11)9-7-3-2-6(4-8-7)10(12)13;1-5(11)10-7-3-2-6(8)4-9-7;6-5-2-1-4(3-7-5)8(9)10;1-2(3)4;/h2-4H,1H3,(H,8,9,11);2-4H,8H2,1H3,(H,9,10,11);1-3H,(H2,6,7);1H3;1H4
InChIKeyUFCRHADCMBECIH-UHFFFAOYSA-N
MW565.98 g/mol
LogP3.55
Rot. Bonds4

About acetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide

acetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide (PubChem CID 161074739) has the molecular formula C22H28ClN9O7 and a molecular weight of 565.98 g/mol. Its IUPAC name is acetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide.

Molecular Properties

Compound Nameacetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide
PubChem CID161074739
Molecular FormulaC22H28ClN9O7
Molecular Weight565.98 g/mol
Exact Mass565.18
IUPAC Nameacetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide
SMILESC.CC(=O)Cl.CC(=O)Nc1ccc(N)cn1.CC(=O)Nc1ccc([N+](=O)[O-])cn1.Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C7H7N3O3.C7H9N3O.C5H5N3O2.C2H3ClO.CH4/c1-5(11)9-7-3-2-6(4-8-7)10(12)13;1-5(11)10-7-3-2-6(8)4-9-7;6-5-2-1-4(3-7-5)8(9)10;1-2(3)4;/h2-4H,1H3,(H,8,9,11);2-4H,8H2,1H3,(H,9,10,11);1-3H,(H2,6,7);1H3;1H4
InChIKeyUFCRHADCMBECIH-UHFFFAOYSA-N
XLogP3.55
TPSA252.26 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.98
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamido-5-nitropyridine
CID 345125
N-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide
CID 2809415
N-{4-[(5-nitropyridin-2-yl)amino]phenyl}acetamide
CID 3146300
N-[4-[[2-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide
CID 3094436
N-{2-[(5-nitro-2-pyridinyl)amino]ethyl}acetamide
CID 2901081
2-[4-(4-nitrophenyl)-1-piperazinyl]-N-(2-pyridinyl)acetamide
CID 2932630
1-Piperazinepropanamide, N-(2-nitrophenyl)-4-(2-pyridinyl)-, dihydrochloride
CID 11971544
2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 44144258
N-pyridin-3-yl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 155568867
1-Piperazinepropanamide, N-(4-nitrophenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (1:2:1)
CID 11971548
3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-N-(4-nitrophenyl)propanamide;dihydrochloride
CID 49860383
N-(4-nitrophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 49860390

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide?
The IUPAC name of acetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide (CID 161074739) is acetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide.
What is the SMILES notation for acetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide?
The canonical SMILES for acetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide is C.CC(=O)Cl.CC(=O)Nc1ccc(N)cn1.CC(=O)Nc1ccc([N+](=O)[O-])cn1.Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of acetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide?
The InChIKey is UFCRHADCMBECIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3.C7H9N3O.C5H5N3O2.C2H3ClO.CH4/c1-5(11)9-7-3-2-6(4-8-7)10(12)13;1-5(11)10-7-3-2-6(8)4-9-7;6-5-2-1-4(3-7-5)8(9)10;1-2(3)4;/h2-4H,1H3,(H,8,9,11);2-4H,8H2,1H3,(H,9,10,11);1-3H,(H2,6,7);1H3;1H4.
What are the key properties of acetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide?
acetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide has a molecular weight of 565.98 g/mol, XLogP of 3.55, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;N-(5-amino-2-pyridinyl)acetamide;methane;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide is sourced from PubChem (CID 161074739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).