N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide

C22H21N5O2S — CID 155149978

IUPACN-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide
SMILESCOc1ccc(S(=O)Nc2ccc(N)c(NCc3ccc4ncccc4c3)n2)cc1
InChIInChI=1S/C22H21N5O2S/c1-29-17-5-7-18(8-6-17)30(28)27-21-11-9-19(23)22(26-21)25-14-15-4-10-20-16(13-15)3-2-12-24-20/h2-13H,14,23H2,1H3,(H2,25,26,27)
InChIKeyLAAPPHSHFWYAOW-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.97
Rot. Bonds7

About N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide

N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide (PubChem CID 155149978) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide.

Molecular Properties

Compound NameN-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide
PubChem CID155149978
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC NameN-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide
SMILESCOc1ccc(S(=O)Nc2ccc(N)c(NCc3ccc4ncccc4c3)n2)cc1
InChIInChI=1S/C22H21N5O2S/c1-29-17-5-7-18(8-6-17)30(28)27-21-11-9-19(23)22(26-21)25-14-15-4-10-20-16(13-15)3-2-12-24-20/h2-13H,14,23H2,1H3,(H2,25,26,27)
InChIKeyLAAPPHSHFWYAOW-UHFFFAOYSA-N
XLogP3.97
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139321368
6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 123774945
2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
CID 59627820
6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372052
3-bromo-5-methoxy-N-(quinolin-6-ylmethyl)aniline
CID 82860690
2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 61029303
2,2-dimethyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 61222294
6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372035
N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine
CID 165347661
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 115320291
6-[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139325338

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide?
The IUPAC name of N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide (CID 155149978) is N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide.
What is the SMILES notation for N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide?
The canonical SMILES for N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide is COc1ccc(S(=O)Nc2ccc(N)c(NCc3ccc4ncccc4c3)n2)cc1.
What is the InChIKey of N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide?
The InChIKey is LAAPPHSHFWYAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-29-17-5-7-18(8-6-17)30(28)27-21-11-9-19(23)22(26-21)25-14-15-4-10-20-16(13-15)3-2-12-24-20/h2-13H,14,23H2,1H3,(H2,25,26,27).
What are the key properties of N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide?
N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide has a molecular weight of 419.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide is sourced from PubChem (CID 155149978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).