6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine

C19H22N6O — CID 123774945

IUPAC6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
SMILESCC(=NOCCN)c1ccc(N)c(NCc2ccc3ncccc3c2)n1
InChIInChI=1S/C19H22N6O/c1-13(25-26-10-8-20)17-7-5-16(21)19(24-17)23-12-14-4-6-18-15(11-14)3-2-9-22-18/h2-7,9,11H,8,10,12,20-21H2,1H3,(H,23,24)
InChIKeyCPRZVISAUONKLF-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.52
Rot. Bonds7

About 6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine

6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine (PubChem CID 123774945) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
PubChem CID123774945
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
SMILESCC(=NOCCN)c1ccc(N)c(NCc2ccc3ncccc3c2)n1
InChIInChI=1S/C19H22N6O/c1-13(25-26-10-8-20)17-7-5-16(21)19(24-17)23-12-14-4-6-18-15(11-14)3-2-9-22-18/h2-7,9,11H,8,10,12,20-21H2,1H3,(H,23,24)
InChIKeyCPRZVISAUONKLF-UHFFFAOYSA-N
XLogP2.52
TPSA111.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol
CID 123299489
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
6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139321368
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
6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372052
[1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol
CID 139321582
2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
CID 58190478
6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine
CID 86671447
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356

Frequently Asked Questions

What is the IUPAC name of 6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine (CID 123774945) is 6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine is CC(=NOCCN)c1ccc(N)c(NCc2ccc3ncccc3c2)n1.
What is the InChIKey of 6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
The InChIKey is CPRZVISAUONKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13(25-26-10-8-20)17-7-5-16(21)19(24-17)23-12-14-4-6-18-15(11-14)3-2-9-22-18/h2-7,9,11H,8,10,12,20-21H2,1H3,(H,23,24).
What are the key properties of 6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine has a molecular weight of 350.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 123774945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).