7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide

C17H17N5O2 — CID 166386362

IUPAC7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCNc3ccccn3)nnc2c1
InChIInChI=1S/C17H17N5O2/c1-24-13-6-5-12-10-15(22-21-14(12)11-13)17(23)20-9-8-19-16-4-2-3-7-18-16/h2-7,10-11H,8-9H2,1H3,(H,18,19)(H,20,23)
InChIKeyQXKJTYFOBQPZPF-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.88
Rot. Bonds6

About 7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide

7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide (PubChem CID 166386362) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide
PubChem CID166386362
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCNc3ccccn3)nnc2c1
InChIInChI=1S/C17H17N5O2/c1-24-13-6-5-12-10-15(22-21-14(12)11-13)17(23)20-9-8-19-16-4-2-3-7-18-16/h2-7,10-11H,8-9H2,1H3,(H,18,19)(H,20,23)
InChIKeyQXKJTYFOBQPZPF-UHFFFAOYSA-N
XLogP1.88
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide 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

7-methoxy-2-methyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide
CID 47056292
N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide
CID 110705099
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 51083709
3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide
CID 122288870
N-pyridin-2-ylcinnoline-3-carboxamide
CID 110705167
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide
CID 20820016
1-(4-methoxy-2-methylphenyl)-3-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]urea
CID 71800240
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide
CID 122314258
N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444680
N-(2-methoxyethyl)-3-(pyridin-2-ylamino)propanamide
CID 47371043
N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109122514

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide (CID 166386362) is 7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide is COc1ccc2cc(C(=O)NCCNc3ccccn3)nnc2c1.
What is the InChIKey of 7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide?
The InChIKey is QXKJTYFOBQPZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-24-13-6-5-12-10-15(22-21-14(12)11-13)17(23)20-9-8-19-16-4-2-3-7-18-16/h2-7,10-11H,8-9H2,1H3,(H,18,19)(H,20,23).
What are the key properties of 7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide?
7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide is sourced from PubChem (CID 166386362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).