N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide

C18H17N5O3 — CID 133301195

IUPACN-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide
SMILESCc1ccc(NC(=O)CCNc2ccc([N+](=O)[O-])c3cccnc23)nc1
InChIInChI=1S/C18H17N5O3/c1-12-4-7-16(21-11-12)22-17(24)8-10-19-14-5-6-15(23(25)26)13-3-2-9-20-18(13)14/h2-7,9,11,19H,8,10H2,1H3,(H,21,22,24)
InChIKeyQCNZAEBTKUCATO-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.29
Rot. Bonds6

About N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide

N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide (PubChem CID 133301195) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide
PubChem CID133301195
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide
SMILESCc1ccc(NC(=O)CCNc2ccc([N+](=O)[O-])c3cccnc23)nc1
InChIInChI=1S/C18H17N5O3/c1-12-4-7-16(21-11-12)22-17(24)8-10-19-14-5-6-15(23(25)26)13-3-2-9-20-18(13)14/h2-7,9,11,19H,8,10H2,1H3,(H,21,22,24)
InChIKeyQCNZAEBTKUCATO-UHFFFAOYSA-N
XLogP3.29
TPSA110.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.29
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'}

Analyze N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methylsulfonyl-3-[(5-nitroquinolin-8-yl)amino]propanamide
CID 91653158
2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide
CID 133443534
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
N-(2-methylsulfanylethyl)-5-nitroquinolin-8-amine
CID 60726466
2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide
CID 133301141
3-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]-N-(5-methyl-2-pyridinyl)propanamide
CID 47091011
3-[(8-nitroquinolin-5-yl)amino]propanoic acid
CID 43449368
N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide
CID 133301188
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
N-[3-[(5-nitroquinolin-8-yl)amino]propyl]methanesulfonamide
CID 36729613

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide (CID 133301195) is N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide is Cc1ccc(NC(=O)CCNc2ccc([N+](=O)[O-])c3cccnc23)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide?
The InChIKey is QCNZAEBTKUCATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-12-4-7-16(21-11-12)22-17(24)8-10-19-14-5-6-15(23(25)26)13-3-2-9-20-18(13)14/h2-7,9,11,19H,8,10H2,1H3,(H,21,22,24).
What are the key properties of N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide?
N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide has a molecular weight of 351.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide is sourced from PubChem (CID 133301195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).