6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine

C23H23N5O2 — CID 139321368

IUPAC6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
SMILESCOCCOc1ccc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)cn1
InChIInChI=1S/C23H23N5O2/c1-29-11-12-30-22-9-5-18(15-26-22)21-8-6-19(24)23(28-21)27-14-16-4-7-20-17(13-16)3-2-10-25-20/h2-10,13,15H,11-12,14,24H2,1H3,(H,27,28)
InChIKeyRNBDYAJAZLRYQX-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.91
Rot. Bonds8

About 6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine

6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine (PubChem CID 139321368) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
PubChem CID139321368
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
SMILESCOCCOc1ccc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)cn1
InChIInChI=1S/C23H23N5O2/c1-29-11-12-30-22-9-5-18(15-26-22)21-8-6-19(24)23(28-21)27-14-16-4-7-20-17(13-16)3-2-10-25-20/h2-10,13,15H,11-12,14,24H2,1H3,(H,27,28)
InChIKeyRNBDYAJAZLRYQX-UHFFFAOYSA-N
XLogP3.91
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372052
6-[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139325338
6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372035
2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
CID 59627820
N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide
CID 155149978
4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 123497239
6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 123774945
4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 139324816
4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine
CID 62733913
5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
CID 139321354
4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide
CID 123969609
3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine
CID 139321349

Frequently Asked Questions

What is the IUPAC name of 6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine (CID 139321368) is 6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine is COCCOc1ccc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)cn1.
What is the InChIKey of 6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
The InChIKey is RNBDYAJAZLRYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-29-11-12-30-22-9-5-18(15-26-22)21-8-6-19(24)23(28-21)27-14-16-4-7-20-17(13-16)3-2-10-25-20/h2-10,13,15H,11-12,14,24H2,1H3,(H,27,28).
What are the key properties of 6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine has a molecular weight of 401.47 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 139321368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).