2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide

C16H13N5O3 — CID 133443534

IUPAC2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide
SMILESO=C(CNc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccn1
InChIInChI=1S/C16H13N5O3/c22-15(20-14-5-1-2-8-17-14)10-19-12-6-7-13(21(23)24)11-4-3-9-18-16(11)12/h1-9,19H,10H2,(H,17,20,22)
InChIKeyKNDZFZMOWKGCSH-UHFFFAOYSA-N
MW323.31 g/mol
LogP2.59
Rot. Bonds5

About 2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide

2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide (PubChem CID 133443534) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide
PubChem CID133443534
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide
SMILESO=C(CNc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccn1
InChIInChI=1S/C16H13N5O3/c22-15(20-14-5-1-2-8-17-14)10-19-12-6-7-13(21(23)24)11-4-3-9-18-16(11)12/h1-9,19H,10H2,(H,17,20,22)
InChIKeyKNDZFZMOWKGCSH-UHFFFAOYSA-N
XLogP2.59
TPSA110.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide
CID 133441769
N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide
CID 133301195
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
2-[(5-nitroquinolin-8-yl)amino]propane-1,3-diol
CID 65314483
N-methylsulfonyl-3-[(5-nitroquinolin-8-yl)amino]propanamide
CID 91653158
1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
CID 3349985
N-(2-methylsulfanylethyl)-5-nitroquinolin-8-amine
CID 60726466
N-[2-(2-methylphenoxy)ethyl]-5-nitroquinolin-8-amine
CID 3119297
N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine
CID 115302966
N-(2-methylsulfanylpropyl)-5-nitroquinolin-8-amine
CID 115886152
1-N-(5-nitroquinolin-8-yl)butane-1,2-diamine
CID 63731820
1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol
CID 133351529

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide (CID 133443534) is 2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide is O=C(CNc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccn1.
What is the InChIKey of 2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide?
The InChIKey is KNDZFZMOWKGCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c22-15(20-14-5-1-2-8-17-14)10-19-12-6-7-13(21(23)24)11-4-3-9-18-16(11)12/h1-9,19H,10H2,(H,17,20,22).
What are the key properties of 2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide?
2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide has a molecular weight of 323.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 133443534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).