(5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride

C52H49ClF2N8O7 — CID 159505964

IUPAC(5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride
SMILESCOc1ccc(CN)nc1OC.COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2cccc(F)c2)nc1OC.Cc1cncc(-c2cnc(-c3cccc(F)c3)c(C(=O)O)c2)c1.Cl
InChIInChI=1S/C26H23FN4O3.C18H13FN2O2.C8H12N2O2.ClH/c1-16-9-18(13-28-12-16)19-11-22(24(29-14-19)17-5-4-6-20(27)10-17)25(32)30-15-21-7-8-23(33-2)26(31-21)34-3;1-11-5-13(9-20-8-11)14-7-16(18(22)23)17(21-10-14)12-3-2-4-15(19)6-12;1-11-7-4-3-6(5-9)10-8(7)12-2;/h4-14H,15H2,1-3H3,(H,30,32);2-10H,1H3,(H,22,23);3-4H,5,9H2,1-2H3;1H
InChIKeyXPEOHVMAOCIVEU-UHFFFAOYSA-N
MW971.46 g/mol
LogP9.54
Rot. Bonds13

About (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride

(5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride (PubChem CID 159505964) has the molecular formula C52H49ClF2N8O7 and a molecular weight of 971.46 g/mol. Its IUPAC name is (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride
PubChem CID159505964
Molecular FormulaC52H49ClF2N8O7
Molecular Weight971.46 g/mol
Exact Mass970.34
IUPAC Name(5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride
SMILESCOc1ccc(CN)nc1OC.COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2cccc(F)c2)nc1OC.Cc1cncc(-c2cnc(-c3cccc(F)c3)c(C(=O)O)c2)c1.Cl
InChIInChI=1S/C26H23FN4O3.C18H13FN2O2.C8H12N2O2.ClH/c1-16-9-18(13-28-12-16)19-11-22(24(29-14-19)17-5-4-6-20(27)10-17)25(32)30-15-21-7-8-23(33-2)26(31-21)34-3;1-11-5-13(9-20-8-11)14-7-16(18(22)23)17(21-10-14)12-3-2-4-15(19)6-12;1-11-7-4-3-6(5-9)10-8(7)12-2;/h4-14H,15H2,1-3H3,(H,30,32);2-10H,1H3,(H,22,23);3-4H,5,9H2,1-2H3;1H
InChIKeyXPEOHVMAOCIVEU-UHFFFAOYSA-N
XLogP9.54
TPSA206.68 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500971.46
LogP ≤ 59.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride with MolForge

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Related Compounds

N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
CID 44633766
N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide
CID 177460304
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyridin-2-ylpyridine-4-carboxamide
CID 118715609
5-(3-fluorophenyl)-2-methoxypyridine-3-carboxylic acid
CID 46314070
[6-(3-fluorophenyl)-5-methoxypyrazin-2-yl]methanamine
CID 83850538
(5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate
CID 160785429
3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide
CID 154795745
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
CID 46317360
N-ethyl-2-phenyl-5-pyridin-3-ylpyridine-3-carboxamide
CID 58539044
(1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine
CID 45377852
[5-(3-fluorophenyl)-6-methoxy-2-pyridinyl]methanol
CID 131870133
N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride (CID 159505964) is (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride is COc1ccc(CN)nc1OC.COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2cccc(F)c2)nc1OC.Cc1cncc(-c2cnc(-c3cccc(F)c3)c(C(=O)O)c2)c1.Cl.
What is the InChIKey of (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is XPEOHVMAOCIVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3.C18H13FN2O2.C8H12N2O2.ClH/c1-16-9-18(13-28-12-16)19-11-22(24(29-14-19)17-5-4-6-20(27)10-17)25(32)30-15-21-7-8-23(33-2)26(31-21)34-3;1-11-5-13(9-20-8-11)14-7-16(18(22)23)17(21-10-14)12-3-2-4-15(19)6-12;1-11-7-4-3-6(5-9)10-8(7)12-2;/h4-14H,15H2,1-3H3,(H,30,32);2-10H,1H3,(H,22,23);3-4H,5,9H2,1-2H3;1H.
What are the key properties of (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride?
(5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 971.46 g/mol, XLogP of 9.54, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 159505964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).