bis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde

C95H93BrN18O16 — CID 158739602

IUPACbis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde
SMILESCOc1ccc(Br)cn1.COc1ccc(C(=NO)c2ccc(OC)nc2)cn1.COc1ccc(C(=O)c2ccc(OC)nc2)cn1.COc1ccc(C(N)c2ccc(OC)nc2)cn1.COc1ccc(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2ccc(OC)nc2)cn1.COc1ccc(C(O)c2ccc(OC)nc2)cn1.COc1ccc(C=O)cn1
InChIInChI=1S/C30H26N6O2.C13H13N3O3.C13H15N3O2.C13H14N2O3.C13H12N2O3.C7H7NO2.C6H6BrNO/c1-36-13-10-19-4-5-20(14-26(19)36)24-15-23(16-25-30(24)32-12-11-31-25)35-29(21-6-8-27(37-2)33-17-21)22-7-9-28(38-3)34-18-22;1-18-11-5-3-9(7-14-11)13(16-17)10-4-6-12(19-2)15-8-10;1-17-11-5-3-9(7-15-11)13(14)10-4-6-12(18-2)16-8-10;2*1-17-11-5-3-9(7-14-11)13(16)10-4-6-12(18-2)15-8-10;1-10-7-3-2-6(5-9)4-8-7;1-9-6-3-2-5(7)4-8-6/h4-18,29,35H,1-3H3;3-8,17H,1-2H3;3-8,13H,14H2,1-2H3;3-8,13,16H,1-2H3;3-8H,1-2H3;2-5H,1H3;2-4H,1H3
InChIKeyIMCWIQNZJAHJMC-UHFFFAOYSA-N
MW1822.80 g/mol
LogP15.12
Rot. Bonds26

About bis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde

bis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde (PubChem CID 158739602) has the molecular formula C95H93BrN18O16 and a molecular weight of 1822.80 g/mol. Its IUPAC name is bis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Namebis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde
PubChem CID158739602
Molecular FormulaC95H93BrN18O16
Molecular Weight1822.80 g/mol
Exact Mass1820.62
IUPAC Namebis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde
SMILESCOc1ccc(Br)cn1.COc1ccc(C(=NO)c2ccc(OC)nc2)cn1.COc1ccc(C(=O)c2ccc(OC)nc2)cn1.COc1ccc(C(N)c2ccc(OC)nc2)cn1.COc1ccc(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2ccc(OC)nc2)cn1.COc1ccc(C(O)c2ccc(OC)nc2)cn1.COc1ccc(C=O)cn1
InChIInChI=1S/C30H26N6O2.C13H13N3O3.C13H15N3O2.C13H14N2O3.C13H12N2O3.C7H7NO2.C6H6BrNO/c1-36-13-10-19-4-5-20(14-26(19)36)24-15-23(16-25-30(24)32-12-11-31-25)35-29(21-6-8-27(37-2)33-17-21)22-7-9-28(38-3)34-18-22;1-18-11-5-3-9(7-14-11)13(16-17)10-4-6-12(19-2)15-8-10;1-17-11-5-3-9(7-15-11)13(14)10-4-6-12(18-2)16-8-10;2*1-17-11-5-3-9(7-14-11)13(16)10-4-6-12(18-2)15-8-10;1-10-7-3-2-6(5-9)4-8-7;1-9-6-3-2-5(7)4-8-6/h4-18,29,35H,1-3H3;3-8,17H,1-2H3;3-8,13H,14H2,1-2H3;3-8,13,16H,1-2H3;3-8H,1-2H3;2-5H,1H3;2-4H,1H3
InChIKeyIMCWIQNZJAHJMC-UHFFFAOYSA-N
XLogP15.12
TPSA421.16 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001822.80
LogP ≤ 515.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde 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-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 122688936
8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine
CID 122689036
8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
CID 122689144
8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine
CID 122689287
N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 134509466
N-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 134509286
N-[(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(3-methyl-1-benzothiophen-5-yl)quinoxalin-6-amine
CID 122689083
methyl 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-4-methylsulfonylbenzoate
CID 122690582
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide
CID 122690617
ethane;N-[(Z)-2-(ethylideneamino)-1-(1-methylpiperidin-4-yl)but-2-enyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 145185125
2-[(R)-(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 140874895
1-[3-[amino(pyridin-3-yl)methyl]azetidin-1-yl]ethanone;3-bromopyridine;tert-butyl 3-[methoxy(methyl)carbamoyl]azetidine-1-carboxylate;tert-butyl 3-(pyridine-3-carbonyl)azetidine-1-carboxylate;1-[3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]azetidin-1-yl]ethanone;1-[3-(pyridine-3-carbonyl)azetidin-1-yl]ethanone
CID 157228761

Frequently Asked Questions

What is the IUPAC name of bis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde?
The IUPAC name of bis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde (CID 158739602) is bis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for bis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde?
The canonical SMILES for bis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde is COc1ccc(Br)cn1.COc1ccc(C(=NO)c2ccc(OC)nc2)cn1.COc1ccc(C(=O)c2ccc(OC)nc2)cn1.COc1ccc(C(N)c2ccc(OC)nc2)cn1.COc1ccc(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2ccc(OC)nc2)cn1.COc1ccc(C(O)c2ccc(OC)nc2)cn1.COc1ccc(C=O)cn1.
What is the InChIKey of bis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde?
The InChIKey is IMCWIQNZJAHJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O2.C13H13N3O3.C13H15N3O2.C13H14N2O3.C13H12N2O3.C7H7NO2.C6H6BrNO/c1-36-13-10-19-4-5-20(14-26(19)36)24-15-23(16-25-30(24)32-12-11-31-25)35-29(21-6-8-27(37-2)33-17-21)22-7-9-28(38-3)34-18-22;1-18-11-5-3-9(7-14-11)13(16-17)10-4-6-12(19-2)15-8-10;1-17-11-5-3-9(7-15-11)13(14)10-4-6-12(18-2)16-8-10;2*1-17-11-5-3-9(7-14-11)13(16)10-4-6-12(18-2)15-8-10;1-10-7-3-2-6(5-9)4-8-7;1-9-6-3-2-5(7)4-8-6/h4-18,29,35H,1-3H3;3-8,17H,1-2H3;3-8,13H,14H2,1-2H3;3-8,13,16H,1-2H3;3-8H,1-2H3;2-5H,1H3;2-4H,1H3.
What are the key properties of bis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde?
bis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde has a molecular weight of 1822.80 g/mol, XLogP of 15.12, 26 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-methoxy-3-pyridinyl)methanamine;bis(6-methoxy-3-pyridinyl)methanol;bis(6-methoxy-3-pyridinyl)methanone;N-[bis(6-methoxy-3-pyridinyl)methylidene]hydroxylamine;N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;5-bromo-2-methoxypyridine;6-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 158739602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).