8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide

C44H34Cl2N8O3 — CID 161363196

IUPAC8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1.Cc1cnc(CNC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)cn1
InChIInChI=1S/C23H18ClN3O2.C21H16ClN5O/c1-29-21-5-3-2-4-16(21)13-26-23(28)20-11-8-17-12-25-14-19(22(17)27-20)15-6-9-18(24)10-7-15;1-13-8-25-17(10-24-13)11-26-21(28)19-7-4-15-9-23-12-18(20(15)27-19)14-2-5-16(22)6-3-14/h2-12,14H,13H2,1H3,(H,26,28);2-10,12H,11H2,1H3,(H,26,28)
InChIKeyVPLSDXGMXPUAHQ-UHFFFAOYSA-N
MW793.72 g/mol
LogP8.87
Rot. Bonds9

About 8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide

8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 161363196) has the molecular formula C44H34Cl2N8O3 and a molecular weight of 793.72 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide
PubChem CID161363196
Molecular FormulaC44H34Cl2N8O3
Molecular Weight793.72 g/mol
Exact Mass792.21
IUPAC Name8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1.Cc1cnc(CNC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)cn1
InChIInChI=1S/C23H18ClN3O2.C21H16ClN5O/c1-29-21-5-3-2-4-16(21)13-26-23(28)20-11-8-17-12-25-14-19(22(17)27-20)15-6-9-18(24)10-7-15;1-13-8-25-17(10-24-13)11-26-21(28)19-7-4-15-9-23-12-18(20(15)27-19)14-2-5-16(22)6-3-14/h2-12,14H,13H2,1H3,(H,26,28);2-10,12H,11H2,1H3,(H,26,28)
InChIKeyVPLSDXGMXPUAHQ-UHFFFAOYSA-N
XLogP8.87
TPSA144.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.72
LogP ≤ 58.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide with MolForge

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Related Compounds

8-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide
CID 4384722
N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide
CID 11849452
N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 484990
N-[(2-methoxyphenyl)methyl]-4-methyl-1,6-naphthyridine-2-carboxamide
CID 485004
8-Chloro-[1,6]naphthyridine-2-carboxylic acid, 2-isopropoxy-benzylamide
CID 485006
5-chloro-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 492589
N-[(2-methoxyphenyl)methyl]-5-methyl-1,6-naphthyridine-2-carboxamide
CID 492592
4-chloro-3,5-difluoro-N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]benzamide
CID 172445779
8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide
CID 4081899
N-benzyl-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4153419
8-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 4246747
N-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-naphthyridine-2-carboxamide
CID 4345385

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide (CID 161363196) is 8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide is COc1ccccc1CNC(=O)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1.Cc1cnc(CNC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)cn1.
What is the InChIKey of 8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is VPLSDXGMXPUAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2.C21H16ClN5O/c1-29-21-5-3-2-4-16(21)13-26-23(28)20-11-8-17-12-25-14-19(22(17)27-20)15-6-9-18(24)10-7-15;1-13-8-25-17(10-24-13)11-26-21(28)19-7-4-15-9-23-12-18(20(15)27-19)14-2-5-16(22)6-3-14/h2-12,14H,13H2,1H3,(H,26,28);2-10,12H,11H2,1H3,(H,26,28).
What are the key properties of 8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide?
8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 793.72 g/mol, XLogP of 8.87, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 161363196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).